Object[Protocol, LCMS]
The protocol describing the separation, ionization, selection, fragmentation (sometimes), and detection of analytes.
Organizational Information
Name
Name of this Object.
Format: Single
Class: String
Programmatic Pattern: _String
Pattern Description: A string.
ID
ID of this Object.
Format: Single
Class: String
Programmatic Pattern: _String
Pattern Description: The ID of this object.
Object
Object of this Object.
Format: Single
Class: Expression
Programmatic Pattern: Object[Protocol, LCMS, _String]
Pattern Description: The object reference of this object.
Type
Type of this Object.
Format: Single
Class: Expression
Programmatic Pattern: Object[Protocol, LCMS]
Pattern Description: Object[Protocol, LCMS]
Notebook
Notebook this object belongs to.
Format: Single
Class: Link
Programmatic Pattern: _Link
Pattern Description: An object of that matches ObjectP[Object[LaboratoryNotebook]].
Relation: Object[LaboratoryNotebook][Objects]
Author
The investigator who created this protocol.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[User][ProtocolsAuthored]
General
DateConfirmed
The date on which the protocol first entered processing or a backlog.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateEnqueued
The date on which the protocol was accepted and added to the queue.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateStarted
The date on which the protocol moved from the front of the queue to begin running in the lab.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateCompleted
The date on which the last step of this protocol's execution was finished.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
DateCanceled
The date on which the protocol was canceled and removed from the queue.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
Script
The script that created this protocol.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Notebook][Protocols]
SubprotocolScripts
All scripts generated by this protocol as a list of subprotocols.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Notebook, Script][ParentProtocol]
Site
The ECL site at which this protocol was executed.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Container, Site]
SamplesIn
Input samples for this analytical or preparative experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
ContainersIn
Any containers containing this protocols' SamplesIn.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
NumberOfReplicates
Indicates the number of times the experiment is repeated with identical parameters.
Format: Single
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
Status
The current status of the protocol.
Format: Single
Class: Expression
Programmatic Pattern: ProtocolStatusP
CheckpointProgress
A listing of all the checkpoints passed in the execution of this protocol.
Format: Multiple
[[1]] Name
Header: Name
Class: String
Programmatic Pattern: _String
[[2]] Start Time
Header: Start Time
Class: Date
Programmatic Pattern: _?DateObjectQ
[[3]] End Time
Header: End Time
Class: Date
Programmatic Pattern: _?DateObjectQ|Null
SubprotocolDescription
A short title indicating what this subprotocol accomplishes.
Format: Single
Class: String
Programmatic Pattern: _String
BatchedUnitOperations
The individual batches of the protocol, as they will be executed in the lab.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[UnitOperation][Protocol]
ReplacementProtocol
If this protocol was aborted due to technical reasons, links to the replacement protocol run in its place.
Format: Single
Class: Link
Programmatic Pattern: _Link
Sterile
Indicates if the protocol is performed in a sterile environment.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
LiquidHandlingLog
The instrumentation trace file that monitored and recorded the execution of this robotic liquid handling.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
PooledSamplesIn
The members of SamplesIn gathered into the pools that are mixed in each AliquotContainer.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectReferenceP[Object[Sample]]..}
NestedIndexMatchingSamplesIn
The members of SamplesIn gathered into the pools that are mixed in each AliquotContainer.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectReferenceP[Object[Sample]]..}
InitialNitrogenPressure
The pressure data of the nitrogen gas source before starting the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
NitrogenPressureLog
The pressure log for the nitrogen gas source for the relevant section of the facility.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
InitialCO2Pressure
The pressure data of the CO2 gas source before starting the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
CO2PressureLog
The pressure log for the CO2 gas source for the relevant section of the facility.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
InitialArgonPressure
The pressure data of the argon gas source before starting the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
HoldOrder
Indicates if the queue position of this protocol should be strictly enforced, regardless of the available resources in the lab.
Format: Single
Class: Boolean
Programmatic Pattern: BooleanP
Priority
Indicates if this protocol should be prioritized to start at the given StartDate, have dedicated operation for its entirety, and not be interrupted by other protocols.
Format: Single
Class: Boolean
Programmatic Pattern: BooleanP
StartDate
The date at which this protocol should be prioritized to start.
Format: Single
Class: Date
Programmatic Pattern: _?DateObjectQ
Branch
The git branch that this protocol should be run on.
Format: Single
Class: String
Programmatic Pattern: _String
MassSpectrometryInstrument
The device containing a pump, column oven, and columns used to separate the analytes.
Format: Single
Class: Link
Programmatic Pattern: _Link
ChromatographyInstrument
The device containing a pump, column oven, and columns used to separate the analytes.
Format: Single
Class: Link
Programmatic Pattern: _Link
MassAnalyzer
The type of the component of the mass spectrometer that performs ion separation based on m/z (mass-to-charge ratio). SingleQuadrupole selects ions individually for measurement.
Format: Single
Class: Expression
Programmatic Pattern: MassAnalyzerTypeP
IonSource
For experiments with MassSpectrometry available, the type of ionization used to create gas phase ions from the molecules in the sample. Electrospray ionization (ESI) produces ions using an electrospray in which a high voltage is applied to a liquid to create an aerosol, and gas phase ions are formed from the fine spray of charged droplets as a result of solvent evaporation and Coulomb fission.
Format: Single
Class: Expression
Programmatic Pattern: IonSourceP
SeparationMode
The type of chromatographic separation that categorizes the mobile and stationary phase used, ideally for optimal sample separation and resolution.
Format: Single
Class: Expression
Programmatic Pattern: SeparationModeP
Detectors
The types of measurements performed for the experiment and available on the ChromatographyInstrument.
Format: Multiple
Class: Expression
Programmatic Pattern: ChromatographyDetectorTypeP
ColumnSelection
The configurations of stationary phase devices used for analyte separation.
Format: Multiple
[GuardColumn]
Header: GuardColumn
Class: Link
[GuardColumnJoin]
Header: GuardColumnJoin
Class: Link
[Column]
Header: Column
Class: Link
[ColumnJoin]
Header: ColumnJoin
Class: Link
[SecondaryColumn]
Header: SecondaryColumn
Class: Link
[SecondaryColumnJoin]
Header: SecondaryColumnJoin
Class: Link
[TertiaryColumn]
Header: TertiaryColumn
Class: Link
ColumnJoins
The connections used to link multiple columns.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
BufferA
The solvent connected to position A, the flow of which is directed by GradientA compositions.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferB
The solvent connected to position B, the flow of which is directed by GradientB compositions.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferC
The solvent connected to position C, the flow of which is directed by GradientC compositions.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferD
The solvent connected to position D, the flow of which is directed by GradientD compositions.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferACap
The cap used to aspirate BufferA during this protocol.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferBCap
The cap used to aspirate BufferB during this protocol.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferCCap
The cap used to aspirate BufferC during this protocol.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferDCap
The cap used to aspirate BufferD during this protocol.
Format: Single
Class: Link
Programmatic Pattern: _Link
InitialBufferAVolume
The volume of BufferA immediately before the experiment was started.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
InitialBufferBVolume
The volume of BufferB immediately before the experiment was started.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
InitialBufferCVolume
The volume of BufferC immediately before the experiment was started.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
InitialBufferDVolume
The volume of BufferD immediately before the experiment was started.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
InitialBufferAAppearance
An image of BufferA taken immediately before the experiment was started.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
InitialBufferBAppearance
An image of BufferB taken immediately before the experiment was started.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
InitialBufferCAppearance
An image of BufferC taken immediately before the experiment was started.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
InitialBufferDAppearance
An image of BufferD taken immediately before the experiment was started.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
MaxAcceleration
The maximum rate at which it's safe to increase the flow rate for the column and instrument during the run.
Format: Single
Class: Real
Unit: 1 milliliter per minute squared
Programmatic Pattern: 0 Milli Liter
-------------
Minute
Hold[GreaterEqualP[-------------]]
Minute
InjectionTable
The sequence of samples injected for a given experiment run including for ColumnPrime, SamplesIn, Standards, Blanks, and ColumnFlush.
Format: Multiple
[Type]
Header: Type
Class: Expression
[Sample]
Header: Sample
Class: Link
[InjectionVolume]
Header: InjectionVolume
Class: Real
Unit: 1 microliter
[Gradient]
Header: Gradient
Class: Link
Relation: Object[Method]
[MassSpectrometry]
Header: MassSpectrometry
Class: Link
Relation: Object[Method]
[DilutionFactor]
Header: DilutionFactor
Class: Real
[ColumnTemperature]
Header: ColumnTemperature
Class: Real
Unit: 1 degree Celsius
[Data]
Header: Data
Class: Link
Relation: Object[Data]
Replicate Experiments
Template
The protocol whose option selections should be selected as the default options for this protocol.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Protocol][ProtocolsTemplated]
ProtocolsTemplated
Protocols which were generated using this protocol's options as a starting point for its option defaults.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Protocol][Template]
Sample Preparation
PreparatoryUnitOperations
A list of transfers, consolidations, aliquots, mixes and dilutions that will be performed in the order listed to prepare samples for the experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: _ | _
PreparatoryPrimitives
A list of transfers, consolidations, aliquots, mixes and dilutions that will be performed in the order listed to prepare samples for the experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: _ | _
VolumeCheckSamplePrep
Indicates if any liquid samples prepared by using the PreparatoryUnitOperations option should have their volumes measured and updated before running the experiment.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
IncubateSamplePreparation
For each member of SamplesIn, parameters describing how the input samples should be heated prior to any aliquoting or the start of the experiment.
Format: Multiple
[Incubate]
Header: Incubate
Class: Boolean
[IncubationTemperature]
Header: IncubationTemperature
Class: Real
Unit: 1 degree Celsius
[IncubationTime]
Header: IncubationTime
Class: Real
Unit: 1 second
[Mix]
Header: Mix
Class: Boolean
[MixType]
Header: MixType
Class: Expression
[MixUntilDissolved]
Header: MixUntilDissolved
Class: Boolean
[MaxIncubationTime]
Header: MaxIncubationTime
Class: Real
Unit: 1 second
[IncubationInstrument]
Header: IncubationInstrument
Class: Link
[AnnealingTime]
Header: AnnealingTime
Class: Real
Unit: 1 second
[IncubateAliquotContainer]
Header: IncubateAliquotContainer
Class: Expression
[IncubateAliquot]
Header: IncubateAliquot
Class: Real
Unit: 1 liter
[IncubateAliquotDestinationWell]
Header: IncubateAliquotDestinationWell
Class: Expression
CentrifugeSamplePreparation
For each member of SamplesIn, parameters describing how the input samples should be spun down prior to any aliquoting or the start of the experiment.
Format: Multiple
[Centrifuge]
Header: Centrifuge
Class: Boolean
[CentrifugeInstrument]
Header: CentrifugeInstrument
Class: Link
[CentrifugeIntensity]
Header: CentrifugeIntensity
Class: VariableUnit
[CentrifugeTime]
Header: CentrifugeTime
Class: Real
Unit: 1 minute
[CentrifugeTemperature]
Header: CentrifugeTemperature
Class: Real
Unit: 1 degree Celsius
[CentrifugeAliquotContainer]
Header: CentrifugeAliquotContainer
Class: Expression
[CentrifugeAliquot]
Header: CentrifugeAliquot
Class: Real
Unit: 1 liter
[CentrifugeAliquotDestinationWell]
Header: CentrifugeAliquotDestinationWell
Class: Expression
FilterSamplePreparation
For each member of SamplesIn, parameters describing how particulates should be separated from the input samples prior to any aliquoting or the start of the experiment.
Format: Multiple
[Filtration]
Header: Filtration
Class: Boolean
[FiltrationType]
Header: FiltrationType
Class: Expression
[Filter]
Header: Filter
Class: Link
Relation: Object[Container] | Model[Container] | Object[Sample] | Model[Sample] | Object[Item] | Model[Item]
[FilterMaterial]
Header: FilterMaterial
Class: Expression
[FilterPoreSize]
Header: FilterPoreSize
Class: Real
Unit: 1 micrometer
[FilterContainerOut]
Header: FilterContainerOut
Class: Expression
[FilterInstrument]
Header: FilterInstrument
Class: Link
Relation: Model[Instrument, FilterBlock] | Object[Instrument, FilterBlock] | Model[Instrument, PeristalticPump] | Object[Instrument, PeristalticPump] | Model[Instrument, VacuumPump] | Object[Instrument, VacuumPump] | Model[Instrument, Centrifuge] | Object[Instrument, Centrifuge] | Model[Instrument, SyringePump] | Object[Instrument, SyringePump]
[FilterSyringe]
Header: FilterSyringe
Class: Link
[FilterHousing]
Header: FilterHousing
Class: Link
[FilterIntensity]
Header: FilterIntensity
Class: VariableUnit
[FilterTime]
Header: FilterTime
Class: Real
Unit: 1 minute
[FilterTemperature]
Header: FilterTemperature
Class: Real
Unit: 1 degree Celsius
[FilterSterile]
Header: FilterSterile
Class: Boolean
[FilterAliquotContainer]
Header: FilterAliquotContainer
Class: Expression
[FilterAliquot]
Header: FilterAliquot
Class: Real
Unit: 1 liter
[PrefilterMaterial]
Header: PrefilterMaterial
Class: Expression
[PrefilterPoreSize]
Header: PrefilterPoreSize
Class: Real
Unit: 1 micrometer
[FilterAliquotDestinationWell]
Header: FilterAliquotDestinationWell
Class: Expression
SamplePreparationProtocols
Protocols used to mix, centrifuge, incubate, and filter the SamplesIn prior to starting the experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
PooledIncubateSample Preparation
For each member of PooledSamplesIn, parameters describing how the pooled samples should be incubated after aliquoting but prior to the start of the experiment.
Format: Multiple
[Incubate]
Header: Incubate
Class: Boolean
[IncubationTemperature]
Header: IncubationTemperature
Class: Real
Unit: 1 degree Celsius
[IncubationTime]
Header: IncubationTime
Class: Real
Unit: 1 second
[Mix]
Header: Mix
Class: Boolean
[MixType]
Header: MixType
Class: Expression
[MixUntilDissolved]
Header: MixUntilDissolved
Class: Boolean
[MaxIncubationTime]
Header: MaxIncubationTime
Class: Real
Unit: 1 second
[IncubationInstrument]
Header: IncubationInstrument
Class: Link
[AnnealingTime]
Header: AnnealingTime
Class: Real
Unit: 1 second
[IncubateAliquotContainer]
Header: IncubateAliquotContainer
Class: Expression
[IncubateAliquot]
Header: IncubateAliquot
Class: Real
Unit: 1 liter
[IncubateAliquotDestinationWell]
Header: IncubateAliquotDestinationWell
Class: Expression
NestedIndexMatchingIncubate SamplePreparation
For each member of NestedIndexMatchingSamplesIn, parameters describing how the pooled samples should be incubated after aliquoting but prior to the start of the experiment.
Format: Multiple
[Incubate]
Header: Incubate
Class: Boolean
[IncubationTemperature]
Header: IncubationTemperature
Class: Real
Unit: 1 degree Celsius
[IncubationTime]
Header: IncubationTime
Class: Real
Unit: 1 second
[Mix]
Header: Mix
Class: Boolean
[MixType]
Header: MixType
Class: Expression
[MixUntilDissolved]
Header: MixUntilDissolved
Class: Boolean
[MaxIncubationTime]
Header: MaxIncubationTime
Class: Real
Unit: 1 second
[IncubationInstrument]
Header: IncubationInstrument
Class: Link
[AnnealingTime]
Header: AnnealingTime
Class: Real
Unit: 1 second
[IncubateAliquotContainer]
Header: IncubateAliquotContainer
Class: Expression
[IncubateAliquot]
Header: IncubateAliquot
Class: Real
Unit: 1 liter
[IncubateAliquotDestinationWell]
Header: IncubateAliquotDestinationWell
Class: Expression
PooledCentrifugeSample Preparation
For each member of PooledSamplesIn, parameters describing how the pooled samples should be centrifuge after aliquoting and pooled mixing but prior to the start of the experiment.
Format: Multiple
[Centrifuge]
Header: Centrifuge
Class: Boolean
[CentrifugeInstrument]
Header: CentrifugeInstrument
Class: Link
[CentrifugeIntensity]
Header: CentrifugeIntensity
Class: VariableUnit
[CentrifugeTime]
Header: CentrifugeTime
Class: Real
Unit: 1 minute
[CentrifugeTemperature]
Header: CentrifugeTemperature
Class: Real
Unit: 1 degree Celsius
[CentrifugeAliquotContainer]
Header: CentrifugeAliquotContainer
Class: Expression
[CentrifugeAliquot]
Header: CentrifugeAliquot
Class: Real
Unit: 1 liter
[CentrifugeAliquotDestinationWell]
Header: CentrifugeAliquotDestinationWell
Class: Expression
NestedIndexMatchingCentrifuge SamplePreparation
For each member of PooledSamplesIn, parameters describing how the pooled samples should be centrifuge after aliquoting and pooled mixing but prior to the start of the experiment.
Format: Multiple
[Centrifuge]
Header: Centrifuge
Class: Boolean
[CentrifugeInstrument]
Header: CentrifugeInstrument
Class: Link
[CentrifugeIntensity]
Header: CentrifugeIntensity
Class: VariableUnit
[CentrifugeTime]
Header: CentrifugeTime
Class: Real
Unit: 1 minute
[CentrifugeTemperature]
Header: CentrifugeTemperature
Class: Real
Unit: 1 degree Celsius
[CentrifugeAliquotContainer]
Header: CentrifugeAliquotContainer
Class: Expression
[CentrifugeAliquot]
Header: CentrifugeAliquot
Class: Real
Unit: 1 liter
[CentrifugeAliquotDestinationWell]
Header: CentrifugeAliquotDestinationWell
Class: Expression
FilteredSamples
Samples corresponding to filtered eluents of SamplesIn generated during sample preparation and intended for use in this experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Sample]
SampleTemperature
The nominal temperature of the chamber input samples are incubated in prior to injection on the column.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterEqualP[0 Kelvin]
SampleVolumes
For each member of SamplesIn, the volume taken from the sample and injected onto the column.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterEqualP[0 Micro Liter]
PlateSeal
The package of piercable, adhesive film used to cover plates of injection samples in this experiment in order to mitigate sample evaporation.
Format: Single
Class: Link
Programmatic Pattern: _Link
Aliquoting
AliquotSamplePreparation
For each member of AliquotSamples, parameters describing how aliquots should be drawn from the input samples after initial sample preparation in order to create new aliquot samples upon which aliquot preparation and the experiment should proceed.
Format: Multiple
[Aliquot]
Header: Aliquot
Class: Boolean
[AliquotAmount]
Header: AliquotAmount
Class: Expression
[TargetConcentration]
Header: TargetConcentration
Class: Expression
[AssayVolume]
Header: AssayVolume
Class: Real
Unit: 1 milliliter
[AliquotContainer]
Header: AliquotContainer
Class: Expression
[AssayBuffer]
Header: AssayBuffer
Class: Link
[BufferDiluent]
Header: BufferDiluent
Class: Link
[BufferDilutionFactor]
Header: BufferDilutionFactor
Class: Real
[ConcentratedBuffer]
Header: ConcentratedBuffer
Class: Link
[DestinationWell]
Header: DestinationWell
Class: Expression
[TargetConcentrationAnalyte]
Header: TargetConcentrationAnalyte
Class: Expression
[AliquotSampleLabel]
Header: AliquotSampleLabel
Class: String
AliquotProtocols
Protocols used to create AliquotSamples prior to starting the experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Protocol]
AliquotPreparationProtocols
Protocols used to mix, centrifuge, incubate, and filter the AliquotSamples prior to starting the experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Protocol]
AliquotSamples
Samples corresponding to aliquots of SamplesIn generated during sample preparation and intended for use in this experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Sample]
AliquotContainers
Containers that hold AliquotSamples generated during sample preparation and intended for use in this experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
SaveAliquots
Indicates if the AliquotSamples should be stored after the experiment, rather than being discarded.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
ConsolidateAliquots
Indicates if identical aliquots should be consolidated in a single sample.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
AliquotPreparation
Indicates if the aliquotting should occur manually or on a robotic liquid handler.
Format: Single
Class: Expression
Programmatic Pattern: PreparationMethodP
AliquotVolumes
For each member of SamplesIn, the volume transferred from the sample into the aliquot sample which is used in lieu of the initial sample for the experiment.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterP[0 Micro Liter]
AliquotMasses
For each member of SamplesIn, the mass of a solid transferred from the sample into the aliquot sample which is used in lieu of the initial sample for the experiment.
Format: Multiple
Class: Real
Unit: 1 milligram
Programmatic Pattern: GreaterP[0 Milligram]
AliquotAmounts
For each member of SamplesIn, the amount transferred from the sample into the aliquot sample which is used in lieu of the initial sample for the experiment.
Format: Multiple
Class: VariableUnit
Programmatic Pattern: GreaterP[0 Milliliter] | GreaterP[0 Milligram] | GreaterP[0 Unit, 1 Unit]
TargetConcentrations
For each member of SamplesIn, the final concentration of analyte in the aliquot sample which is used in lieu of the initial sample for the experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: Milligram
Hold[GreaterP[0 Micro Molar] | GreaterP[0 ----------]]
Milliliter
AssayVolumes
For each member of SamplesIn (or PooledSamplesIn), the total volume of the reaction mixture which is used in lieu of the initial sample for the experiment.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterEqualP[0 Micro Liter]
AssayBuffers
For each member of SamplesIn (or PooledSamplesIn), the final buffers used to generate AliquotSamples by aliquoting SamplesIn.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
ConcentratedBuffers
For each member of SamplesIn (or PooledSamplesIn), the concentrated buffer source which is added to the AliquotSamples to obtain 1x buffer concentration after dilution of the AliquotSamples which are used in lieu of the SamplesIn for the experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
BufferDilutionFactors
For each member of SamplesIn (or PooledSamplesIn), he dilution factor by which the concentrated buffer is diluted in preparing the AliquotSamples to obtain a 1x buffer concentration after dilution of the AliquotSamples which are used in lieu of the SamplesIn for the experiment.
Format: Multiple
Class: Real
Programmatic Pattern: GreaterP[0]
BufferDiluents
For each member of SamplesIn (or PooledSamplesIn), the diluent used to dilute the concentration of the concentrated buffer in preparing the AliquotSamples which are used in lieu of the SamplesIn for the experiment.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
ConcentratedBuffer
The concentrated buffer source which is added to each of the AliquotSamples to obtain 1x buffer concentration after dilution of the AliquotSamples which are used in lieu of the SamplesIn for the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
BufferDilutionFactor
The dilution factor by which the concentrated buffer is diluted in preparing the AliquotSamples to obtain a 1x buffer concentration after dilution of the AliquotSamples which are used in lieu of the SamplesIn for the experiment.
Format: Single
Class: Integer
Programmatic Pattern: GreaterP[0]
BufferDiluent
The diluent used to dilute the concentration of the concentrated buffer in preparing the AliquotSamples which are used in lieu of the SamplesIn for the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
AssayBuffer
The desired buffer for the AliquotSamples which are used in lieu of the SamplesIn for the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
Sample Post-Processing
PostProcessingProtocols
Protocols used to perform post-processing such as sample imaging or volume measurement.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Protocol]
ImageSample
Indicates if the samples that are modified in the course of the experiment are imaged after running the experiment.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
MeasureVolume
Indicates if the volume of the liquid samples modified in the course of the experiment are measured after running the experiment.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
MeasureWeight
Indicates if the weight of the solid samples modified in the course of the experiment are measured after running the experiment.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
Measure
Indicates if the volume/weight of the samples modified in the course of the experiment are measured after running the experiment.
Format: Single
Class: Expression
Programmatic Pattern: BooleanP
Storage
Indicates the conditions under which any samples generated by this experiment are stored after the protocol is completed.
Format: Single
Class: Expression
Programmatic Pattern: SampleStorageTypeP | Disposal
Experimental Results
Data
Any primary data generated by this protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
SamplesOut
Any preparative samples generated by the protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
ContainersOut
Any containers holding SamplesOut generated by this protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
EnvironmentalData
Measurements of environmental conditions (temperature and humidity) recorded during the execution of this protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
StandardData
For each member of Standards, the chromatography traces generated for the standard's injection.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
BlankData
For each member of Blanks, the chromatography traces generated for the blank's injection.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
PrimeData
Chromatography traces generated for any column prime runs.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
FlushData
Chromatography traces generated for any column flush runs.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
CalibrationData
Mass spectra of calibrants used in this protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Data][Protocol]
InitialAnalyteVolumes
The volume of each analyte sample (SamplesIn if drawn directly or AliquotSamples if instructed to aliquot prior to the assay) measured prior to injection.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterEqualP[0 Liter]
FinalAnalyteVolumes
The volume of each analyte sample (SamplesIn if drawn directly or AliquotSamples if instructed to aliquot prior to the assay) measured at the end of the protocol.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterEqualP[0 Liter]
InjectedAnalyteVolumes
The volume of each analyte sample (SamplesIn if drawn directly or AliquotSamples if instructed to aliquot prior to the assay) that was injected during the protocol, calculated as the difference between InitialAnalyteVolumes and FinalAnalyteVolumes.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterEqualP[0 Liter]
Troubleshooting
TroubleshootingReports
Reports for errors that require troubleshooting associated with the execution of this top-level protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Resources
AwaitingResources
Indicates if this protocol is awaiting the arrival of items before it can be begun or continued.
Format: Single
Class: Boolean
Programmatic Pattern: BooleanP
ShippingMaterials
Indicates the transactions, and the specific products or samples therein, that must be received before this protocol can be begun or continued.
Format: Multiple
[[1]] Transaction
Header: Transaction
Class: Link
Programmatic Pattern: _Link
[[2]] Required Product
Header: Required Product
Class: Link
Programmatic Pattern: _Link
HazardousWaste
The types of waste generated by this protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
DispenserContainers
Containers gathered as destinations for any resources obtained from a chemical dispenser.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
GasSources
A list of containers that supplied gas to instruments in this protocol through plumbing connections.
Format: Multiple
[[1]] Gas Type
Header: Gas Type
Class: Expression
Programmatic Pattern: GasP
[[2]] Source Container
Header: Source Container
Class: Link
Programmatic Pattern: _Link
Relation: Object[Container]
[[3]] Supplied Instrument
Header: Supplied Instrument
Class: Link
Programmatic Pattern: _Link
Relation: Object[Instrument]
Cleaning
WasteGenerated
For each type of waste generated by this protocol, the total amount (in grams) generated during the conduct of the protocol.
Format: Multiple
[Waste]
Header: Waste
Class: Link
Relation: Model[Sample]
[Weight]
Header: Weight
Class: Real
Unit: 1 gram
TubingRinseSolution
The solution used to rinse buffers lines before and after and the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
NeedleWashSolution
The solution used to wash the inside of the injection needle and pumps before, during, and after the experiment.
Format: Single
Class: Link
Programmatic Pattern: _Link
Storage Information
StoragePrice
The total monthly price for warehousing all user owned items associated with this protocol in an ECL facility under the storage conditions specified by each item.
Format: Single
Class: Real
Unit: 1 US dollar per month
Programmatic Pattern: USD
Hold[GreaterEqualP[0 -----]]
Month
Sample Storage
SamplesInStorage
For each member of SamplesIn, The storage conditions under which any input samples to this experiment should be stored after their usage in this experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: SampleStorageTypeP | Disposal
AliquotStorage
For each member of AliquotSamples, The storage conditions under which any aliquot samples generated by this experiment should be stored after the protocol is completed.
Format: Multiple
Class: Expression
Programmatic Pattern: SampleStorageTypeP | Disposal
SamplesOutStorage
For each member of SamplesOut, the storage conditions under which any output samples generated by this experiment should be stored after the protocol is completed.
Format: Multiple
Class: Expression
Programmatic Pattern: SampleStorageTypeP | Disposal
Option Handling
ResolvedOptions
The final options used as parameters for this protocol, after automatic options are resolved.
Format: Single
Class: Compressed
Programmatic Pattern: {_Rule...}
UnresolvedOptions
The verbatim options originally input by the protocol author to generate this protocol, often with some options set to Automatic.
Format: Single
Class: Compressed
Programmatic Pattern: {_Rule...}
Computations
ParallelComputations
List of computational jobs generated and run in parallel to the execution of this protocol.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
ComputationsOutstanding
Indicates if any of the computation jobs in ParallelComputations have not yet completed.
Format: Single
Class: Boolean
Programmatic Pattern: BooleanP
ErroneousComputations
List of computational jobs generated and run in parallel to the execution of this protocol in which a warning or error was thown, or that did not finish.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Column Installation
Column
The stationary phase device(s) through which the Buffers and input samples flow. It adsorbs and separates the molecules within the sample based on the properties of the Buffers, samples, column material, and ColumnTemperature.
Format: Single
Class: Link
Programmatic Pattern: _Link
SecondaryColumn
The second stationary phase device(s) through which the Buffers and input samples flow. It adsorbs and separates the molecules within the sample based on the properties of the Buffers, samples, column material, and ColumnTemperature.
Format: Single
Class: Link
Programmatic Pattern: _Link
TertiaryColumn
The third stationary phase device(s) through which the Buffers and input samples flow. It adsorbs and separates the molecules within the sample based on the properties of the Buffers, samples, column material, and ColumnTemperature.
Format: Single
Class: Link
Programmatic Pattern: _Link
GuardColumn
A protective device placed in the flow path before the Column in order to adsorb fouling contaminants and, thus, preserve the Column lifetime. If GuardColumnOrientation is ReverseOrientation, the GuardColumn will be placed after Columns in the flow path.
Format: Single
Class: Link
Programmatic Pattern: _Link
GuardCartridge
A module that holds the adsorbent within the GuardColumn.
Format: Single
Class: Link
Programmatic Pattern: _Link
ResinLoading
The amount (in grams) of adsorbent that is loaded into the GuardColumn.
Format: Single
Class: Real
Unit: 1 gram
Programmatic Pattern: GreaterP[0 Gram]
GuardColumnJoin
The connection used to link the column and guard column employed in this HPLC purification.
Format: Single
Class: Link
Programmatic Pattern: _Link
Column Prime
ColumnPrimeGradientMethod
The composition of the buffers within the flow, defined for specific time points during the equilibration of the Columns (column prime).
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method]
ColumnPrimeGradientA
For each column prime, the percentage of BufferA in the composition over time, in the form: {Time, % Buffer A} or a single % Buffer A for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnPrimeGradientB
For each column prime, the percentage of BufferB in the composition over time, in the form: {Time, % Buffer B} or a single % Buffer B for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnPrimeGradientC
For each column prime, the percentage of BufferC in the composition over time, in the form: {Time, % Buffer C} or a single % Buffer C for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnPrimeGradientD
For each column prime, the percentage of BufferD in the composition over time, in the form: {Time, % Buffer D} or a single % Buffer D for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnPrimeTemperature
For each column prime, the nominal temperature of the column compartment during a run.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterEqualP[0 Kelvin]
ColumnPrimeMassAcquisition Method
A redundant set of operating instructions for the mass analysis device during the priming of the column. This method file can be used for future experiments.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method]
ColumnPrimeIonMode
The polarity of the charged analyte.
Format: Single
Class: Expression
Programmatic Pattern: IonModeP
ColumnPrimeESICapillary Voltage
The applied voltage differential between the injector and the inlet for the mass spectrometry in order to ionize analyte molecules.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ColumnPrimeDesolvation Temperature
The temperature setting for the ESI desolvation heater that controls the nitrogen gas temperature used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
ColumnPrimeDesolvationGasFlow
The rate of nitrogen gas flow ejected around the ESI (electrospray ionization) capillary, used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Single
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
ColumnPrimeSourceTemperature
The temperature that the source block is set to in order to discourage condensation and decrease solvent clustering in the reduced vacuum region of the source.
The source block is the metallic chamber with reduced pressure separating the sprayer (at atmospheric pressure) and the inside of the mass spectrometer (at 10^-7 Torr of pressure). It consists of the sampling cone, the isolation valve, and the ion block. The source temperature setting affects sensitivity.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
ColumnPrimeDeclustering Voltage
The applied voltage between the sample inlet on the mass spectrometry and the first stage of the ion filter.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ColumnPrimeConeGasFlow
The rate of nitrogen gas flow ejected around the sample inlet cone (the spherical metal plate on the source block, acting as a first gate between the sprayer and the reduced-pressure ion block). This gas flow is used to minimize the formation of solvent ion clusters. It also helps reduce adduct ions and directs the spray into the ion block while keeping the sample cone clean.
Format: Single
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
ColumnPrimeStepwaveVoltage
The applied voltage between the two stages of the ion filter.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnPrimeIonGuideVoltage
The absolute voltage applied to the tip of the stainless steel ESI (electrospray ionization) capillary tubing in order to produce charged droplets. This option is diagrammed as IonSprayVoltage for ESI-QQQ.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ColumnPrimeAcquisitionWindows
The time blocks to acquire measurements for each column prime run.
Format: Multiple
[StartTime]
Header: StartTime
Class: Real
Unit: 1 minute
[EndTime]
Header: EndTime
Class: Real
Unit: 1 minute
ColumnPrimeAcquisitionModes
For each member of ColumnPrimeAcquisitionWindows, the manner of scanning and/or fragmenting intact and resultant ions.
Format: Multiple
Class: Expression
Programmatic Pattern: MSAcquisitionModeP
ColumnPrimeFragmentations
For each member of ColumnPrimeAcquisitionWindows, indicates whether the intact ions collide with inert gas to dissociate into product ions. Also known as Tandem mass spectrometry or MS/MS.
Format: Multiple
Class: Boolean
Programmatic Pattern: BooleanP
ColumnPrimeMinMasses
For each member of ColumnPrimeAcquisitionWindows, the lowest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterEqualP[------]]
Mole
ColumnPrimeMaxMasses
For each member of ColumnPrimeAcquisitionWindows, the highest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnPrimeMassSelections
For each member of ColumnPrimeAcquisitionWindows, all of the measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{GreaterP[------]..}]
Mole
ColumnPrimeScanTimes
For each member of ColumnPrimeAcquisitionWindows, the duration of time allowed to pass between each spectral acquisition.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnPrimeFragmentMinMasses
For each member of ColumnPrimeAcquisitionWindows, the lowest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterEqualP[------]]
Mole
ColumnPrimeFragmentMaxMasses
For each member of ColumnPrimeAcquisitionWindows, the highest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnPrimeFragmentMass Selections
For each member of ColumnPrimeAcquisitionWindows, all of the measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{GreaterP[------]..}]
Mole
ColumnPrimeCollisionEnergies
For each member of ColumnPrimeAcquisitionWindows, the applied potential that accelerates ions into an inert gas for induced dissociation.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: ListableP[UnitsP[0 Volt]]
ColumnPrimeLowCollision Energies
For each member of ColumnPrimeAcquisitionWindows, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnPrimeHighCollision Energies
For each member of ColumnPrimeAcquisitionWindows, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnPrimeFinalLowCollision Energies
For each member of ColumnPrimeAcquisitionWindows, at the end of the spectral scan, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnPrimeFinalHighCollision Energies
For each member of ColumnPrimeAcquisitionWindows, at the end of the spectral scan, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnPrimeDwellTimes
For each member of ColumnPrimeAcquisitionWindows, if the sample will be scan in SelectedIonMonitoring mode or MultipleReactionMonitoring mode, the length of time for each mass selection or mass selection pairs.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Millisecond]..} | GreaterP[0 Millisecond] | Null)..}
ColumnPrimeCollisionCellExit Voltages
For each member of ColumnPrimeAcquisitionWindows, in ESI-QQQ analysis, if the sample will be scanned in tandem mass spectrometry mode in ESI-QQQ, the value of the potential applied between collision cell and the second Quadrupole mass analyzer (MS2) to guide and focus the ion beam into MS2.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ColumnPrimeMassDetectionStep Sizes
For each member of ColumnPrimeAcquisitionWindows, the mass-to-charge value at which the mass spectrometer will record a data of the mass scan.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnPrimeMultipleReaction MonitoringAssays
For each member of SamplesIn, if using ESI-QQQ as the mass spectrometry, that firstly targets the ion corresponding to the compound of interest with subsequent fragmentation of that target ion to produce a range of daughter ions. One (or more) of these fragment daughter ions can be selected for quantitation purposes. Only compounds that meet both these criteria, i.e. specific parent ion and specific daughter ions corresponding to the mass of the molecule of interest are detected within the mass spectrometer. The mass assays (MS1/MS2 mass value combinations) for each scan, along with the CollisionEnergy and dwell time (length of time of each scan).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram 0 Gram
Hold[{(Association[MS1Mass -> {GreaterP[------]..} | Null, CollisionEnergy -> {UnitsP[0 Volt]..} | Null, MS2Mass -> {GreaterP[------]..} | Null, DwellTime -> {GreaterP[0 Millisecond]..} | Null] | {Null})..}]
Mole Mole
ColumnPrimeNeutralLosses
For each member of ColumnPrimeAcquisitionWindows, if the sample will be scanned in NeutralIonLoss mode, the value for the mass offset values between MS1 and MS2 (neutral ion loss value.).
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnPrimeFragmentScanTimes
For each member of ColumnPrimeAcquisitionWindows, the duration of time allowed to pass between each spectral acquisition for the product ions when ColumnPrimeAcquisitionMode -> DataDependent.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnPrimeAcquisitionSurveys
For each member of ColumnPrimeAcquisitionWindows, indicates the number of intact ions to consider for fragmentation and acquisition in DataDependent acquistion mode.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
ColumnPrimeMinimumThresholds
For each member of ColumnPrimeAcquisitionWindows, the least number of total intact ions needed to be measured to elicit an acquisition program.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
ColumnPrimeAcquisitionLimits
For each member of ColumnPrimeAcquisitionWindows, the maximum number of measured ions allowed during a fragmentation measurement of a survey ion. Will proceed to the next intact ion/fragmentation once reached.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
ColumnPrimeCycleTimeLimits
For each member of ColumnPrimeAcquisitionWindows, the maximum duration allowable for a survey. Will proceed to the next cycle once reached.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnPrimeExclusionDomains
For each member of ColumnPrimeAcquisitionWindows, the time blocks within to consider for specific mass exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {{UnitsP[Minute], UnitsP[Minute]}..}
ColumnPrimeExclusionMasses
For each member of ColumnPrimeAcquisitionWindows, indicates the manner of omitting intact ions for acquisition survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{{ExclusionModeP, GreaterP[------]}..}]
Mole
ColumnPrimeExclusionMass Tolerances
For each member of ColumnPrimeAcquisitionWindows, the range above and below each ion in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnPrimeExclusionRetention TimeTolerances
For each member of ColumnPrimeAcquisitionWindows, the range above and below each retention time in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnPrimeInclusionDomains
For each member of ColumnPrimeAcquisitionWindows, the time blocks within to consider for specific mass inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {{UnitsP[Minute], UnitsP[Minute]}..}
ColumnPrimeInclusionMasses
For each member of ColumnPrimeAcquisitionWindows, the intact ions to prioritize during survey acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{{InclusionModeP, GreaterP[------]}..}]
Mole
ColumnPrimeInclusionCollision Energies
For each member of ColumnPrimeAcquisitionWindows, the overriding collision energy to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Volt]..}
ColumnPrimeInclusion DeclusteringVoltages
For each member of ColumnPrimeAcquisitionWindows, the overriding source voltage to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Volt]..}
ColumnPrimeInclusionCharge States
For each member of ColumnPrimeAcquisitionWindows, the charge state isotopes to also consider for inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0, 1]..}
ColumnPrimeInclusionScanTimes
For each member of ColumnPrimeAcquisitionWindows, the overriding scan time to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Second]..}
ColumnPrimeInclusionMass Tolerances
For each member of ColumnPrimeAcquisitionWindows, the range above and below each ion in InclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnPrimeChargeStateLimits
For each member of ColumnPrimeAcquisitionWindows, the number of ions to survey before excluding for ion state properties.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterEqualP[0, 1]
ColumnPrimeChargeState Selections
For each member of ColumnPrimeAcquisitionWindows, the specific ionic states of intact ions to redundantly exclude from the survey for further fragmentation/acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[1, 1]..}
ColumnPrimeChargeStateMass Tolerances
For each member of ColumnPrimeAcquisitionWindows, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnPrimeIsotopeMass Differences
For each member of ColumnPrimeAcquisitionWindows, the delta between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Dalton]..}
ColumnPrimeIsotopeRatios
For each member of ColumnPrimeAcquisitionWindows, the minimum relative magnitude between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0]..}
ColumnPrimeIsotopeDetection Minimums
For each member of ColumnPrimeAcquisitionWindows, the acquisition rate of a given intact mass to consider for isotope exclusion in the survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 1
Hold[{GreaterP[0 ------]..}]
Second
ColumnPrimeIsotopeRatio Tolerances
For each member of ColumnPrimeAcquisitionWindows, the range of relative magnitude around IsotopeRatio and SecondaryIsotopeRatio to consider for isotope exclusion.
Format: Multiple
Class: Real
Unit: 1 percent
Programmatic Pattern: GreaterP[0 Percent]
ColumnPrimeIsotopeMass Tolerances
For each member of ColumnPrimeAcquisitionWindows, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnPrimeAbsorbance Selection
All the wavelengths of light absorbed in the detector's flow cell for a PhotoDiodeArray (PDA) detector for each column prime.
Format: Single
Class: Expression
Programmatic Pattern: {GreaterP[0 Centimeter]..}
ColumnPrimeMinAbsorbance Wavelength
The wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Single
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
ColumnPrimeMaxAbsorbance Wavelength
The maximum wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Single
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
ColumnPrimeWavelength Resolution
The increment in wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Single
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
ColumnPrimeUVFilter
Indicates whether or not to block UV wavelengths (less than 210 nm) from being transmitted through the sample for PDA detector.
Format: Single
Class: Boolean
Programmatic Pattern: BooleanP
ColumnPrimeAbsorbanceSampling Rate
Indicates the frequency of measurement for UVVis or PDA detectors.
Format: Single
Class: Real
Unit: 1 reciprocal second
Programmatic Pattern: 1
Hold[GreaterP[0 ------]]
Second
Gradient
GradientAs
For each member of SamplesIn, the percentage of BufferA in the composition over time, in the form: {Time, % Buffer A} or a single % Buffer A for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
GradientBs
For each member of SamplesIn, the percentage of BufferB in the composition over time, in the form: {Time, % Buffer B} or a single % Buffer B for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
GradientCs
For each member of SamplesIn, the percentage of BufferC in the composition over time, in the form: {Time, % Buffer C} or a single % Buffer C for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
GradientDs
For each member of SamplesIn, the percentage of BufferD in the composition over time, in the form: {Time, % Buffer D} or a single % Buffer D for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
FlowRates
For each member of SamplesIn, the total rate of mobile phase pumped through the instrument.
Format: Multiple
Class: Expression
Programmatic Pattern: Milliliter 0 Milli Liter
Hold[ListableP[{GreaterEqualP[0 Minute], GreaterEqualP[0 ----------]}] | GreaterEqualP[-------------]]
Minute Minute
GradientMethods
For each member of SamplesIn, the buffer gradient used for purification.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method]
ColumnTemperatures
For each member of SamplesIn, the nominal temperature of the column compartment during a run.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterEqualP[0 Kelvin]
FinalBufferAVolume
The volume of BufferA immediately after the experiment was completed.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
FinalBufferBVolume
The volume of BufferB immediately after the experiment was completed.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
FinalBufferCVolume
The volume of BufferC immediately after the experiment was completed.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
FinalBufferDVolume
The volume of BufferD immediately after the experiment was completed.
Format: Single
Class: Real
Unit: 1 liter
Programmatic Pattern: GreaterEqualP[0 Liter]
FinalBufferAAppearance
An image of BufferA taken immediately after the experiment was completed.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
FinalBufferBAppearance
An image of BufferB taken immediately after the experiment was completed.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
FinalBufferCAppearance
An image of BufferC taken immediately after the experiment was completed.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
FinalBufferDAppearance
An image of BufferD taken immediately after the experiment was completed.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[EmeraldCloudFile]
Mass Analysis
Calibrant
A sample with known m/z (mass-to-charge ratios) used to calibrate the mass spectrometer.
Format: Single
Class: Link
Programmatic Pattern: _Link
SecondCalibrant
An additional samples with known m/z (mass-to-charge ratios) used to calibrate the mass spectrometer.
Format: Single
Class: Link
Programmatic Pattern: _Link
MassSpectrometryScans
The entire mass spectrometry analysis scan for this LCMS experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectP[Object[UnitOperation, MassSpectrometryScan]]..}
SampleMassSpectrometryScans
The entire mass spectrometry analysis scan for this LCMS experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectP[Object[UnitOperation, MassSpectrometryScan]]..}
BlankMassSpectrometryScans
The entire mass spectrometry analysis scan for this LCMS experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectP[Object[UnitOperation, MassSpectrometryScan]]..}
StandardMassSpectrometryScans
The entire mass spectrometry analysis scan for this LCMS experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectP[Object[UnitOperation, MassSpectrometryScan]]..}
ColumnPrimeMassSpectrometry Scans
The entire mass spectrometry analysis scan for this LCMS experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectP[Object[UnitOperation, MassSpectrometryScan]]..}
ColumnFlushMassSpectrometry Scans
The entire mass spectrometry analysis scan for this LCMS experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: {ObjectP[Object[UnitOperation, MassSpectrometryScan]]..}
CalibrationMethods
For each member of SamplesIn, the settings used to calibrate the instrument.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method]
CalibrantStorage
The storage conditions under which any Calibrant to this experiment should be stored after their usage in this experiment.
Format: Multiple
Class: Expression
Programmatic Pattern: SampleStorageTypeP | Disposal
MassAcquisitionMethods
For each member of SamplesIn, a redundant set of operating instructions for the mass analysis device during separation and detection. Can be used for future experiments.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method, MassAcquisition]
InfusionSyringeTubing
The tubing we used to connect the syringe from the syring pump to the mass spectrometer.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Alternatives[Object[Plumbing, Tubing]]
AcquisitionWindows
For each member of SamplesIn, the time blocks to acquire measurement for each sample.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Second], GreaterEqualP[0 Second]}..}
AcquisitionModes
For each member of SamplesIn, the manner of scanning and/or fragmenting intact and resultant ions.
Format: Multiple
Class: Expression
Programmatic Pattern: {MSAcquisitionModeP..}
Fragmentations
For each member of SamplesIn, indicates whether the intact ions collide with inert gas to dissociate into product ions. Also known as Tandem mass spectrometry or MS/MS.
Format: Multiple
Class: Expression
Programmatic Pattern: {BooleanP..}
MinMasses
For each member of SamplesIn, the lowest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
MaxMasses
For each member of SamplesIn, the highest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
MassSelections
For each member of SamplesIn, all of the measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({GreaterP[------]..} | Null)..}]
Mole
ScanTimes
For each member of SamplesIn, the duration of time allowed to pass between each spectral acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Second]..}
FragmentMinMasses
For each member of SamplesIn, the lowest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
FragmentMaxMasses
For each member of SamplesIn, the highest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
FragmentMassSelections
For each member of SamplesIn, all of the measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({GreaterP[------]..} | Null)..}]
Mole
CollisionEnergies
For each member of SamplesIn, the applied potential that accelerates ions into an inert gas for induced dissociation.
Format: Multiple
Class: Expression
Programmatic Pattern: {ListableP[UnitsP[0 Volt] | Null]..}
LowCollisionEnergies
For each member of SamplesIn, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
HighCollisionEnergies
For each member of SamplesIn, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
FinalLowCollisionEnergies
For each member of SamplesIn, at the end of the spectral scan, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
FinalHighCollisionEnergies
For each member of SamplesIn, at the end of the spectral scan, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
DwellTimes
For each member of SamplesIn, if the sample will be scan in SelectedIonMonitoring mode or MultipleReactionMonitoring mode, the length of time for each mass selection or mass selection pairs.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Millisecond]..} | GreaterP[0 Millisecond] | Null)..}
CollisionCellExitVoltages
For each member of SamplesIn, in ESI-QQQ analysis, if the sample will be scanned in tandem mass spectrometry mode in ESI-QQQ, the value of the potential applied between collision cell and the second Quadrupole mass analyzer (MS2) to guide and focus the ion beam into MS2.
Format: Multiple
Class: Expression
Programmatic Pattern: {(UnitsP[0 Volt] | Null)..}
MassDetectionStepSizes
For each member of SamplesIn, the mass-to-charge value at which the mass spectrometer will record a data of the mass scan.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
MultipleReactionMonitoring Assays
For each member of SamplesIn, if using ESI-QQQ as the mass spectrometry, that firstly targets the ion corresponding to the compound of interest with subsequent fragmentation of that target ion to produce a range of daughter ions. One (or more) of these fragment daughter ions can be selected for quantitation purposes. Only compounds that meet both these criteria, i.e. specific parent ion and specific daughter ions corresponding to the mass of the molecule of interest are detected within the mass spectrometer. The mass assays (MS1/MS2 mass value combinations) for each scan, along with the CollisionEnergy and dwell time (length of time of each scan).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram 0 Gram
Hold[{(Association[MS1Mass -> {GreaterP[------]..} | Null, CollisionEnergy -> {UnitsP[0 Volt]..} | Null, MS2Mass -> {GreaterP[------]..} | Null, DwellTime -> {GreaterP[0 Millisecond]..} | Null] | {Null})..}]
Mole Mole
NeutralLosses
For each member of SamplesIn, if the sample will be scanned in NeutralIonLoss mode, the value for the mass offset values between MS1 and MS2 (neutral ion loss value.).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
FragmentScanTimes
For each member of SamplesIn, the duration of time allowed to pass between each spectral acquisition for the product ions when AcquistionMode -> DataDependent.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
AcquisitionSurveys
For each member of SamplesIn, indicates the number of intact ions to consider for fragmentation and acquisition in DataDependent acquistion mode.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
MinimumThresholds
For each member of SamplesIn, the least number of total intact ions needed to be measured to elicit an acquisition program.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
AcquisitionLimits
For each member of SamplesIn, the maximum number of measured ions allowed during a fragmentation measurement of a survey ion. Will proceed to the next intact ion/fragmentation once reached.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
CycleTimeLimits
For each member of SamplesIn, the maximum duration allowable for a survey. Will proceed to the next cycle once reached.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
ExclusionDomains
For each member of SamplesIn, the time blocks within to consider for specific mass exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({{UnitsP[Minute], UnitsP[Minute]}..} | Null)..}
ExclusionMasses
For each member of SamplesIn, indicates the manner of omitting intact ions for acquisition survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({{ExclusionModeP, GreaterP[------]}..} | Null)..}]
Mole
ExclusionMassTolerances
For each member of SamplesIn, the range above and below each ion in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
ExclusionRetentionTime Tolerances
For each member of SamplesIn, the range above and below each retention time in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
InclusionDomains
For each member of SamplesIn, the time blocks within to consider for specific mass inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({{UnitsP[Minute], UnitsP[Minute]}..} | Null)..}
InclusionMasses
For each member of SamplesIn, the intact ions to prioritize during survey acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({{InclusionModeP, GreaterP[------]}..} | Null)..}]
Mole
InclusionCollisionEnergies
For each member of SamplesIn, the overriding collision energy to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Volt]..} | Null)..}
InclusionDeclusteringVoltages
For each member of SamplesIn, the overriding source voltage to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Volt]..} | Null)..}
InclusionChargeStates
For each member of SamplesIn, the charge state isotopes to also consider for inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0, 1]..} | Null)..}
InclusionScanTimes
For each member of SamplesIn, the overriding scan time to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Second]..} | Null)..}
InclusionMassTolerances
For each member of SamplesIn, the range above and below each ion in InclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
ChargeStateLimits
For each member of SamplesIn, the number of ions to survey before excluding for ion state properties.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterEqualP[0, 1] | Null)..}
ChargeStateSelections
For each member of SamplesIn, the specific ionic states of intact ions to redundantly exclude from the survey for further fragmentation/acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[1, 1]..} | Null)..}
ChargeStateMassTolerances
For each member of SamplesIn, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
IsotopeMassDifferences
For each member of SamplesIn, the delta between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Dalton]..} | Null)..}
IsotopeRatios
For each member of SamplesIn, the minimum relative magnitude between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0]..} | Null)..}
IsotopeDetectionMinimums
For each member of SamplesIn, the acquisition rate of a given intact mass to consider for isotope exclusion in the survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 1
Hold[{({GreaterP[0 ------]..} | Null)..}]
Second
IsotopeRatioTolerances
For each member of SamplesIn, the range of relative magnitude around IsotopeRatio and SecondaryIsotopeRatio to consider for isotope exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Percent] | Null)..}
IsotopeMassTolerances
For each member of SamplesIn, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
Ionization
IonModes
For each member of SamplesIn, the polarity of the charged analyte.
Format: Multiple
Class: Expression
Programmatic Pattern: IonModeP
ESICapillaryVoltages
For each member of SamplesIn, the applied voltage differential between the injector and the inlet for the mass spectrometry in order to ionize analyte molecules.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
DesolvationTemperatures
For each member of SamplesIn, the temperature setting for the ESI desolvation heater that controls the nitrogen gas temperature used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
DesolvationGasFlows
For each member of SamplesIn, the nitrogen gas flow ejected around the ESI (electrospray ionization) capillary, used for solvent evaporation to produce single gas phase ions from the ion spray. This setting affects sensitivity and is usually adjusted according to InfusionFlowRates (the higher the flow rate, the higher the desolvation gas flow). Please refer to the documentation for details.
Format: Multiple
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
SourceTemperatures
For each member of SamplesIn, the temperature that the source block is set to in order to discourage condensation and decrease solvent clustering in the reduced vacuum region of the source.
The source block is the metallic chamber with reduced pressure separating the sprayer (at atmospheric pressure) and the inside of the mass spectrometer (at 10^-7 Torr of pressure). It consists of the sampling cone, the isolation valve, and the ion block. The source temperature setting affects sensitivity.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
DeclusteringVoltages
For each member of SamplesIn, the applied voltage between the sample inlet on the mass spectrometry and the first stage of the ion filter.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ConeGasFlows
For each member of SamplesIn, the nitrogen gas flow ejected around the sample inlet cone (the spherical metal plate on the source block, acting as a first gate between the sprayer and the reduced-pressure ion block). This gas flow is used to minimize the formation of solvent ion clusters. It also helps reduce adduct ions and directing the spray into the ion block while keeping the sample cone clean.
Format: Multiple
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
StepwaveVoltages
For each member of SamplesIn, the applied voltage between the two stages of the ion filter.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
IonGuideVoltages
For each member of SamplesIn, the absolute voltage applied to the tip of the stainless steel ESI (electrospray ionization) capillary tubing in order to produce charged droplets. This option is diagrammed as IonSprayVoltage for ESI-QQQ.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
StandardDesolvationGasFlows
For each member of SamplesIn, the nitrogen gas flow ejected around the ESI (electrospray ionization) capillary, used for solvent evaporation to produce single gas phase ions from the ion spray. This setting affects sensitivity and is usually adjusted according to InfusionFlowRates (the higher the flow rate, the higher the desolvation gas flow). Please refer to the documentation for details.
Format: Multiple
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
StandardConeGasFlows
For each member of SamplesIn, the nitrogen gas flow ejected around the sample inlet cone (the spherical metal plate on the source block, acting as a first gate between the sprayer and the reduced-pressure ion block). This gas flow is used to minimize the formation of solvent ion clusters. It also helps reduce adduct ions and directing the spray into the ion block while keeping the sample cone clean.
Format: Multiple
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
BlankDesolvationGasFlows
For each member of SamplesIn, the nitrogen gas flow ejected around the ESI (electrospray ionization) capillary, used for solvent evaporation to produce single gas phase ions from the ion spray. This setting affects sensitivity and is usually adjusted according to InfusionFlowRates (the higher the flow rate, the higher the desolvation gas flow). Please refer to the documentation for details.
Format: Multiple
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
BlankConeGasFlows
For each member of SamplesIn, the nitrogen gas flow ejected around the sample inlet cone (the spherical metal plate on the source block, acting as a first gate between the sprayer and the reduced-pressure ion block). This gas flow is used to minimize the formation of solvent ion clusters. It also helps reduce adduct ions and directing the spray into the ion block while keeping the sample cone clean.
Format: Multiple
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
Detection
AbsorbanceSelection
For each member of SamplesIn, all the wavelengths of light absorbed in the detector's flow cell for a PhotoDiodeArray (PDA) detector.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Centimeter]..}
MinAbsorbanceWavelengths
For each member of SamplesIn, the minimum wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
MaxAbsorbanceWavelengths
For each member of SamplesIn, the maximum wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
WavelengthResolutions
For each member of SamplesIn, the increment in wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
UVFilters
For each member of SamplesIn, indicates whether or not to block UV wavelengths (less than 210 nm) from being transmitted through the sample for Absorbance detectors (PDA).
Format: Multiple
Class: Boolean
Programmatic Pattern: BooleanP
AbsorbanceSamplingRates
For each member of SamplesIn, indicates the frequency of measurement for PDA detectors.
Format: Multiple
Class: Real
Unit: 1 reciprocal second
Programmatic Pattern: 1
Hold[GreaterP[0 ------]]
Second
Standards
Standards
Samples with known profiles used to calibrate peak integrations and retention times for a given run.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
StandardSampleVolumes
For each member of Standards, the volume taken from the standard and injected onto the column.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterEqualP[0 Micro Liter]
StandardGradientMethods
For each member of Standards, the method used to describe the gradient used for purification.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method]
StandardGradientAs
For each member of Standards, the percentage of BufferA in the composition over time, in the form: {Time, % Buffer A} or a single % Buffer A for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
StandardGradientBs
For each member of Standards, the percentage of BufferB in the composition over time, in the form: {Time, % Buffer B} or a single % Buffer B for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
StandardGradientCs
For each member of Standards, the percentage of BufferC in the composition over time, in the form: {Time, % Buffer C} or a single % Buffer C for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
StandardGradientDs
For each member of Standards, the percentage of BufferD in the composition over time, in the form: {Time, % Buffer D} or a single % Buffer D for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
StandardColumnTemperatures
For each member of Standards, the nominal temperature of the column compartment during a run.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterEqualP[0 Kelvin]
StandardMassAcquisition Methods
For each member of Standards, a redundant set of operating instructions for the mass analysis device during separation and detection. Can be used for future experiments.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method, MassAcquisition]
StandardIonModes
For each member of Standards, the polarity of the charged analyte.
Format: Multiple
Class: Expression
Programmatic Pattern: IonModeP
StandardESICapillaryVoltages
For each member of Standards, the applied voltage differential between the injector and the inlet for the mass spectrometry in order to ionize analyte molecules.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
StandardDesolvation Temperatures
For each member of Standards, the temperature setting for the ESI desolvation heater that controls the nitrogen gas temperature used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
StandardSourceTemperatures
For each member of Standards, the temperature that the source block is set to in order to discourage condensation and decrease solvent clustering in the reduced vacuum region of the source.
The source block is the metallic chamber with reduced pressure separating the sprayer (at atmospheric pressure) and the inside of the mass spectrometer (at 10^-7 Torr of pressure). It consists of the sampling cone, the isolation valve, and the ion block. The source temperature setting affects sensitivity.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
StandardDeclusteringVoltages
For each member of Standards, the applied voltage between the sample inlet on the mass spectrometry and the first stage of the ion filter.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
StandardStepwaveVoltages
For each member of Standards, the applied voltage between the two stages of the ion filter.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
StandardIonGuideVoltages
For each member of Standards, the absolute voltage applied to the tip of the stainless steel ESI (electrospray ionization) capillary tubing in order to produce charged droplets. This option is diagrammed as IonSprayVoltage for ESI-QQQ.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
StandardAcquisitionWindows
For each member of Standards, the time blocks to acquire measurement for each sample.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Second], GreaterEqualP[0 Second]}..}
StandardAcquisitionModes
For each member of Standards, the manner of scanning and/or fragmenting intact and resultant ions.
Format: Multiple
Class: Expression
Programmatic Pattern: {MSAcquisitionModeP..}
StandardFragmentations
For each member of Standards, indicates whether the intact ions collide with inert gas to dissociate into product ions. Also known as Tandem mass spectrometry or MS/MS.
Format: Multiple
Class: Expression
Programmatic Pattern: {BooleanP..}
StandardMinMasses
For each member of Standards, the lowest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
StandardMaxMasses
For each member of Standards, the highest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
StandardMassSelections
For each member of Standards, all of the measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({GreaterP[------]..} | Null)..}]
Mole
StandardScanTimes
For each member of Standards, the duration of time allowed to pass between each spectral acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Second]..}
StandardFragmentMinMasses
For each member of Standards, the lowest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
StandardFragmentMaxMasses
For each member of Standards, the highest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
StandardFragmentMass Selections
For each member of Standards, all of the measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({GreaterP[------]..} | Null)..}]
Mole
StandardCollisionEnergies
For each member of Standards, the applied potential that accelerates ions into an inert gas for induced dissociation.
Format: Multiple
Class: Expression
Programmatic Pattern: {ListableP[UnitsP[0 Volt] | Null]..}
StandardLowCollisionEnergies
For each member of Standards, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
StandardHighCollisionEnergies
For each member of Standards, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
StandardFinalLowCollision Energies
For each member of Standards, at the end of the spectral scan, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
StandardFinalHighCollision Energies
For each member of Standards, at the end of the spectral scan, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
StandardDwellTimes
For each member of Standards, if the sample will be scan in SelectedIonMonitoring mode or MultipleReactionMonitoring mode, the length of time for each mass selection or mass selection pairs.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Millisecond]..} | GreaterP[0 Millisecond] | Null)..}
StandardCollisionCellExit Voltages
For each member of Standards, in ESI-QQQ analysis, if the sample will be scanned in tandem mass spectrometry mode in ESI-QQQ, the value of the potential applied between collision cell and the second Quadrupole mass analyzer (MS2) to guide and focus the ion beam into MS2.
Format: Multiple
Class: Expression
Programmatic Pattern: {(UnitsP[0 Volt] | Null)..}
StandardMassDetectionStep Sizes
For each member of Standards, the mass-to-charge value at which the mass spectrometer will record a data of the mass scan.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
StandardMultipleReaction MonitoringAssays
For each member of SamplesIn, if using ESI-QQQ as the mass spectrometry, that firstly targets the ion corresponding to the compound of interest with subsequent fragmentation of that target ion to produce a range of daughter ions. One (or more) of these fragment daughter ions can be selected for quantitation purposes. Only compounds that meet both these criteria, i.e. specific parent ion and specific daughter ions corresponding to the mass of the molecule of interest are detected within the mass spectrometer. The mass assays (MS1/MS2 mass value combinations) for each scan, along with the CollisionEnergy and dwell time (length of time of each scan).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram 0 Gram
Hold[{(Association[MS1Mass -> {GreaterP[------]..} | Null, CollisionEnergy -> {UnitsP[0 Volt]..} | Null, MS2Mass -> {GreaterP[------]..} | Null, DwellTime -> {GreaterP[0 Millisecond]..} | Null] | {Null})..}]
Mole Mole
StandardNeutralLosses
For each member of Standards, if the sample will be scanned in NeutralIonLoss mode, the value for the mass offset values between MS1 and MS2 (neutral ion loss value.).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
StandardFragmentScanTimes
For each member of Standards, the duration of time allowed to pass between each spectral acquisition for the product ions when AcquistionMode -> DataDependent.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
StandardAcquisitionSurveys
For each member of Standards, indicates the number of intact ions to consider for fragmentation and acquisition in DataDependent acquistion mode.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
StandardMinimumThresholds
For each member of Standards, the least number of total intact ions needed to be measured to elicit an acquisition program.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
StandardAcquisitionLimits
For each member of Standards, the maximum number of measured ions allowed during a fragmentation measurement of a survey ion. Will proceed to the next intact ion/fragmentation once reached.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
StandardCycleTimeLimits
For each member of Standards, the maximum duration allowable for a survey. Will proceed to the next cycle once reached.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
StandardExclusionDomains
For each member of Standards, the time blocks within to consider for specific mass exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({{UnitsP[Minute], UnitsP[Minute]}..} | Null)..}
StandardExclusionMasses
For each member of Standards, indicates the manner of omitting intact ions for acquisition survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({{ExclusionModeP, GreaterP[------]}..} | Null)..}]
Mole
StandardExclusionMass Tolerances
For each member of Standards, the range above and below each ion in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
StandardExclusionRetention TimeTolerances
For each member of Standards, the range above and below each retention time in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
StandardInclusionDomains
For each member of Standards, the time blocks within to consider for specific mass inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({{UnitsP[Minute], UnitsP[Minute]}..} | Null)..}
StandardInclusionMasses
For each member of Standards, the intact ions to prioritize during survey acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({{InclusionModeP, GreaterP[------]}..} | Null)..}]
Mole
StandardInclusionCollision Energies
For each member of Standards, the overriding collision energy to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Volt]..} | Null)..}
StandardInclusionDeclustering Voltages
For each member of Standards, the overriding source voltage to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Volt]..} | Null)..}
StandardInclusionChargeStates
For each member of Standards, the charge state isotopes to also consider for inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0, 1]..} | Null)..}
StandardInclusionScanTimes
For each member of Standards, the overriding scan time to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Second]..} | Null)..}
StandardInclusionMass Tolerances
For each member of Standards, the range above and below each ion in InclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
StandardChargeStateLimits
For each member of Standards, the number of ions to survey before excluding for ion state properties.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterEqualP[0, 1] | Null)..}
StandardChargeStateSelections
For each member of Standards, the specific ionic states of intact ions to redundantly exclude from the survey for further fragmentation/acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[1, 1]..} | Null)..}
StandardChargeStateMass Tolerances
For each member of Standards, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
StandardIsotopeMass Differences
For each member of Standards, the delta between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Dalton]..} | Null)..}
StandardIsotopeRatios
For each member of Standards, the minimum relative magnitude between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0]..} | Null)..}
StandardIsotopeDetection Minimums
For each member of Standards, the acquisition rate of a given intact mass to consider for isotope exclusion in the survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 1
Hold[{({GreaterP[0 ------]..} | Null)..}]
Second
StandardIsotopeRatio Tolerances
For each member of Standards, the range of relative magnitude around IsotopeRatio and SecondaryIsotopeRatio to consider for isotope exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Percent] | Null)..}
StandardIsotopeMassTolerances
For each member of Standards, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
StandardAbsorbanceSelection
For each member of Standards, all the wavelengths of light absorbed in the detector's flow cell for a PhotoDiodeArray (PDA) detector.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Centimeter]..}
StandardMinAbsorbance Wavelengths
For each member of Standards, the wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
StandardMaxAbsorbance Wavelengths
For each member of Standards, the maximum wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
StandardWavelengthResolutions
For each member of Standards, the increment in wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
StandardUVFilters
For each member of Standards, indicates whether or not to block UV wavelengths (less than 210 nm) from being transmitted through the sample for Absorbance detectors (PDA).
Format: Multiple
Class: Boolean
Programmatic Pattern: BooleanP
StandardAbsorbanceSampling Rates
For each member of Standards, indicates the frequency of measurement for PDA detectors.
Format: Multiple
Class: Real
Unit: 1 reciprocal second
Programmatic Pattern: 1
Hold[GreaterP[0 ------]]
Second
StandardsStorageConditions
For each member of Standards, the storage conditions under which the standard samples should be stored after the protocol is completed.
Format: Multiple
Class: Expression
Programmatic Pattern: SampleStorageTypeP | Disposal
Blanking
Blanks
Samples with known profiles used to calibrate peak integrations and retention times for a given run.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
BlankSampleVolumes
For each member of Blanks, the volume taken from the blank and injected onto the column.
Format: Multiple
Class: Real
Unit: 1 microliter
Programmatic Pattern: GreaterEqualP[0 Micro Liter]
BlankGradientMethods
For each member of Blanks, the method used to describe the gradient used for purification.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method]
BlankGradientAs
For each member of Blanks, the percentage of BufferA in the composition over time, in the form: {Time, % Buffer A} or a single % Buffer A for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
BlankGradientBs
For each member of Blanks, the percentage of BufferB in the composition over time, in the form: {Time, % Buffer B} or a single % Buffer B for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
BlankGradientCs
For each member of Blanks, the percentage of BufferC in the composition over time, in the form: {Time, % Buffer C} or a single % Buffer C for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
BlankGradientDs
For each member of Blanks, the percentage of BufferD in the composition over time, in the form: {Time, % Buffer D} or a single % Buffer D for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
BlankColumnTemperatures
For each member of Blanks, the nominal temperature of the column compartment during a run.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterEqualP[0 Kelvin]
BlankMassAcquisitionMethods
For each member of Blanks, a redundant set of operating instructions for the mass analysis device during separation and detection. Can be used for future experiments.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method, MassAcquisition]
BlankIonModes
For each member of Blanks, the polarity of the charged analyte.
Format: Multiple
Class: Expression
Programmatic Pattern: IonModeP
BlankESICapillaryVoltages
For each member of Blanks, the applied voltage differential between the injector and the inlet for the mass spectrometry in order to ionize analyte molecules.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
BlankDesolvationTemperatures
For each member of Blanks, the temperature setting for the ESI desolvation heater that controls the nitrogen gas temperature used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
BlankSourceTemperatures
For each member of Blanks, the temperature that the source block is set to in order to discourage condensation and decrease solvent clustering in the reduced vacuum region of the source.
The source block is the metallic chamber with reduced pressure separating the sprayer (at atmospheric pressure) and the inside of the mass spectrometer (at 10^-7 Torr of pressure). It consists of the sampling cone, the isolation valve, and the ion block. The source temperature setting affects sensitivity.
Format: Multiple
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
BlankDeclusteringVoltages
For each member of Blanks, the applied voltage between the sample inlet on the mass spectrometry and the first stage of the ion filter.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
BlankStepwaveVoltages
For each member of Blanks, the applied voltage between the two stages of the ion filter.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
BlankIonGuideVoltages
For each member of Blanks, the absolute voltage applied to the tip of the stainless steel ESI (electrospray ionization) capillary tubing in order to produce charged droplets. This option is diagrammed as IonSprayVoltage for ESI-QQQ.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
BlankAcquisitionWindows
For each member of Blanks, the time blocks to acquire measurement for each sample.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Second], GreaterEqualP[0 Second]}..}
BlankAcquisitionModes
For each member of Blanks, the manner of scanning and/or fragmenting intact and resultant ions.
Format: Multiple
Class: Expression
Programmatic Pattern: {MSAcquisitionModeP..}
BlankFragmentations
For each member of Blanks, indicates whether the intact ions collide with inert gas to dissociate into product ions. Also known as Tandem mass spectrometry or MS/MS.
Format: Multiple
Class: Expression
Programmatic Pattern: {BooleanP..}
BlankMinMasses
For each member of Blanks, the lowest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
BlankMaxMasses
For each member of Blanks, the highest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
BlankMassSelections
For each member of Blanks, all of the measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({GreaterP[------]..} | Null)..}]
Mole
BlankScanTimes
For each member of Blanks, the duration of time allowed to pass between each spectral acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Second]..}
BlankFragmentMinMasses
For each member of Blanks, the lowest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
BlankFragmentMaxMasses
For each member of Blanks, the highest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterEqualP[------] | Null)..}]
Mole
BlankFragmentMassSelections
For each member of Blanks, all of the measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({GreaterP[------]..} | Null)..}]
Mole
BlankCollisionEnergies
For each member of Blanks, the applied potential that accelerates ions into an inert gas for induced dissociation.
Format: Multiple
Class: Expression
Programmatic Pattern: {ListableP[UnitsP[0 Volt] | Null]..}
BlankLowCollisionEnergies
For each member of Blanks, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
BlankHighCollisionEnergies
For each member of Blanks, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
BlankFinalLowCollision Energies
For each member of Blanks, at the end of the spectral scan, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
BlankFinalHighCollision Energies
For each member of Blanks, at the end of the spectral scan, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Volt] | Null)..}
BlankDwellTimes
For each member of Blanks, if the sample will be scan in SelectedIonMonitoring mode or MultipleReactionMonitoring mode, the length of time for each mass selection or mass selection pairs.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Millisecond]..} | GreaterP[0 Millisecond] | Null)..}
BlankCollisionCellExit Voltages
For each member of Blanks, in ESI-QQQ analysis, if the sample will be scanned in tandem mass spectrometry mode in ESI-QQQ, the value of the potential applied between collision cell and the second Quadrupole mass analyzer (MS2) to guide and focus the ion beam into MS2.
Format: Multiple
Class: Expression
Programmatic Pattern: {(UnitsP[0 Volt] | Null)..}
BlankMassDetectionStepSizes
For each member of Blanks, the mass-to-charge value at which the mass spectrometer will record a data of the mass scan.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
BlankMultipleReaction MonitoringAssays
For each member of SamplesIn, if using ESI-QQQ as the mass spectrometry, that firstly targets the ion corresponding to the compound of interest with subsequent fragmentation of that target ion to produce a range of daughter ions. One (or more) of these fragment daughter ions can be selected for quantitation purposes. Only compounds that meet both these criteria, i.e. specific parent ion and specific daughter ions corresponding to the mass of the molecule of interest are detected within the mass spectrometer. The mass assays (MS1/MS2 mass value combinations) for each scan, along with the CollisionEnergy and dwell time (length of time of each scan).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram 0 Gram
Hold[{(Association[MS1Mass -> {GreaterP[------]..} | Null, CollisionEnergy -> {UnitsP[0 Volt]..} | Null, MS2Mass -> {GreaterP[------]..} | Null, DwellTime -> {GreaterP[0 Millisecond]..} | Null] | {Null})..}]
Mole Mole
BlankNeutralLosses
For each member of Blanks, if the sample will be scanned in NeutralIonLoss mode, the value for the mass offset values between MS1 and MS2 (neutral ion loss value.).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{(GreaterP[------] | Null)..}]
Mole
BlankFragmentScanTimes
For each member of Blanks, the duration of time allowed to pass between each spectral acquisition for the product ions when AcquistionMode -> DataDependent.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
BlankAcquisitionSurveys
For each member of Blanks, indicates the number of intact ions to consider for fragmentation and acquisition in DataDependent acquistion mode.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
BlankMinimumThresholds
For each member of Blanks, the least number of total intact ions needed to be measured to elicit an acquisition program.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
BlankAcquisitionLimits
For each member of Blanks, the maximum number of measured ions allowed during a fragmentation measurement of a survey ion. Will proceed to the next intact ion/fragmentation once reached.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0, 1] | Null)..}
BlankCycleTimeLimits
For each member of Blanks, the maximum duration allowable for a survey. Will proceed to the next cycle once reached.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
BlankExclusionDomains
For each member of Blanks, the time blocks within to consider for specific mass exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({{UnitsP[Minute], UnitsP[Minute]}..} | Null)..}
BlankExclusionMasses
For each member of Blanks, indicates the manner of omitting intact ions for acquisition survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({{ExclusionModeP, GreaterP[------]}..} | Null)..}]
Mole
BlankExclusionMassTolerances
For each member of Blanks, the range above and below each ion in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
BlankExclusionRetentionTime Tolerances
For each member of Blanks, the range above and below each retention time in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Second] | Null)..}
BlankInclusionDomains
For each member of Blanks, the time blocks within to consider for specific mass inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({{UnitsP[Minute], UnitsP[Minute]}..} | Null)..}
BlankInclusionMasses
For each member of Blanks, the intact ions to prioritize during survey acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{({{InclusionModeP, GreaterP[------]}..} | Null)..}]
Mole
BlankInclusionCollision Energies
For each member of Blanks, the overriding collision energy to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Volt]..} | Null)..}
BlankInclusionDeclustering Voltages
For each member of Blanks, the overriding source voltage to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Volt]..} | Null)..}
BlankInclusionChargeStates
For each member of Blanks, the charge state isotopes to also consider for inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0, 1]..} | Null)..}
BlankInclusionScanTimes
For each member of Blanks, the overriding scan time to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[0 Second]..} | Null)..}
BlankInclusionMassTolerances
For each member of Blanks, the range above and below each ion in InclusionMassSelection to consider for omission.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
BlankChargeStateLimits
For each member of Blanks, the number of ions to survey before excluding for ion state properties.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterEqualP[0, 1] | Null)..}
BlankChargeStateSelections
For each member of Blanks, the specific ionic states of intact ions to redundantly exclude from the survey for further fragmentation/acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterEqualP[1, 1]..} | Null)..}
BlankChargeStateMass Tolerances
For each member of Blanks, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
BlankIsotopeMassDifferences
For each member of Blanks, the delta between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Dalton]..} | Null)..}
BlankIsotopeRatios
For each member of Blanks, the minimum relative magnitude between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0]..} | Null)..}
BlankIsotopeDetectionMinimums
For each member of Blanks, the acquisition rate of a given intact mass to consider for isotope exclusion in the survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 1
Hold[{({GreaterP[0 ------]..} | Null)..}]
Second
BlankIsotopeRatioTolerances
For each member of Blanks, the range of relative magnitude around IsotopeRatio and SecondaryIsotopeRatio to consider for isotope exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Percent] | Null)..}
BlankIsotopeMassTolerances
For each member of Blanks, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Expression
Programmatic Pattern: {(GreaterP[0 Dalton] | Null)..}
BlankAbsorbanceSelection
For each member of Blanks, all the wavelengths of light absorbed in the detector's flow cell for a PhotoDiodeArray (PDA) detector.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Centimeter]..}
BlankMinAbsorbanceWavelengths
For each member of Blanks, the wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
BlankMaxAbsorbanceWavelengths
For each member of Blanks, the maximum wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
BlankWavelengthResolutions
For each member of Blanks, the increment in wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Multiple
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
BlankUVFilters
For each member of Blanks, indicates whether or not to block UV wavelengths (less than 210 nm) from being transmitted through the sample for Absorbance detectors (PDA).
Format: Multiple
Class: Boolean
Programmatic Pattern: BooleanP
BlankAbsorbanceSamplingRates
For each member of Blanks, indicates the frequency of measurement for PDA detectors.
Format: Multiple
Class: Real
Unit: 1 reciprocal second
Programmatic Pattern: 1
Hold[GreaterP[0 ------]]
Second
BlanksStorageConditions
For each member of Blanks, the storage conditions under which the blank samples should be stored after the protocol is completed.
Format: Multiple
Class: Expression
Programmatic Pattern: SampleStorageTypeP | Disposal
ColumnFlushMassAcquisition Method
A redundant set of operating instructions for the mass analysis device during the cleaning of the columns. Can be used for future experiments.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method, MassAcquisition]
Column Flush
ColumnFlushGradientMethod
For each column flush (when solvent is run through without injection), the method used to describe the gradient used.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method]
ColumnFlushGradientA
For each column flush, the percentage of BufferA in the composition over time, in the form: {Time, % Buffer A} or a single % Buffer A for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnFlushGradientB
For each column flush, the percentage of BufferB in the composition over time, in the form: {Time, % Buffer B} or a single % Buffer B for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnFlushGradientC
For each column flush, the percentage of BufferC in the composition over time, in the form: {Time, % Buffer C} or a single % Buffer C for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnFlushGradientD
For each column flush, the percentage of BufferD in the composition over time, in the form: {Time, % Buffer D} or a single % Buffer D for the entire run.
Format: Multiple
Class: Expression
Programmatic Pattern: {{GreaterEqualP[0 Minute], RangeP[0 Percent, 100 Percent]}...} | RangeP[0 Percent, 100 Percent]
ColumnFlushTemperature
For each column flush, the nominal temperature of the column compartment during a run.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterEqualP[0 Kelvin]
ColumnFlushIonMode
The polarity of the charged analyte.
Format: Single
Class: Expression
Programmatic Pattern: IonModeP
ColumnFlushESICapillary Voltage
The applied voltage differential between the injector and the inlet for the mass spectrometry in order to ionize analyte molecules.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ColumnFlushDesolvation Temperature
The temperature setting for the ESI desolvation heater that controls the nitrogen gas temperature used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
ColumnFlushDesolvationGasFlow
The rate of nitrogen gas flow ejected around the ESI (electrospray ionization) capillary, used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Single
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
ColumnFlushSourceTemperature
The temperature that the source block is set to in order to discourage condensation and decrease solvent clustering in the reduced vacuum region of the source.
The source block is the metallic chamber with reduced pressure separating the sprayer (at atmospheric pressure) and the inside of the mass spectrometer (at 10^-7 Torr of pressure). It consists of the sampling cone, the isolation valve, and the ion block. The source temperature setting affects sensitivity.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
ColumnFlushDeclustering Voltage
The applied voltage between the sample inlet on the mass spectrometry and the first stage of the ion filter.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ColumnFlushConeGasFlow
The rate of nitrogen gas flow ejected around the sample inlet cone (the spherical metal plate on the source block, acting as a first gate between the sprayer and the reduced-pressure ion block). This gas flow is used to minimize the formation of solvent ion clusters. It also helps reduce adduct ions and directs the spray into the ion block while keeping the sample cone clean.
Format: Single
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
ColumnFlushStepwaveVoltage
The applied voltage between the two stages of the ion filter.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnFlushAcquisitionWindows
The time blocks to acquire measurement for each column flush run.
Format: Multiple
[StartTime]
Header: StartTime
Class: Real
Unit: 1 minute
[EndTime]
Header: EndTime
Class: Real
Unit: 1 minute
ColumnFlushAcquisitionModes
For each member of ColumnFlushAcquisitionWindows, the manner of scanning and/or fragmenting intact and resultant ions.
Format: Multiple
Class: Expression
Programmatic Pattern: MSAcquisitionModeP
ColumnFlushFragmentations
For each member of ColumnFlushAcquisitionWindows, indicates whether the intact ions collide with inert gas to dissociate into product ions. Also known as Tandem mass spectrometry or MS/MS.
Format: Multiple
Class: Boolean
Programmatic Pattern: BooleanP
ColumnFlushMinMasses
For each member of ColumnFlushAcquisitionWindows, the lowest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterEqualP[------]]
Mole
ColumnFlushMaxMasses
For each member of ColumnFlushAcquisitionWindows, the highest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnFlushMassSelections
For each member of ColumnFlushAcquisitionWindows, all of the measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{GreaterP[------]..}]
Mole
ColumnFlushScanTimes
For each member of ColumnFlushAcquisitionWindows, the duration of time allowed to pass between each spectral acquisition.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnFlushFragmentMinMasses
For each member of ColumnFlushAcquisitionWindows, the lowest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterEqualP[------]]
Mole
ColumnFlushFragmentMaxMasses
For each member of ColumnFlushAcquisitionWindows, the highest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnFlushFragmentMass Selections
For each member of ColumnFlushAcquisitionWindows, all of the measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{GreaterP[------]..}]
Mole
ColumnFlushCollisionEnergies
For each member of ColumnFlushAcquisitionWindows, the applied potential that accelerates ions into an inert gas for induced dissociation.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: ListableP[UnitsP[0 Volt]]
ColumnFlushLowCollision Energies
For each member of ColumnFlushAcquisitionWindows, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnFlushHighCollision Energies
For each member of ColumnFlushAcquisitionWindows, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnFlushFinalLowCollision Energies
For each member of ColumnFlushAcquisitionWindows, at the end of the spectral scan, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnFlushFinalHighCollision Energies
For each member of ColumnFlushAcquisitionWindows, at the end of the spectral scan, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
ColumnFlushDwellTimes
For each member of ColumnFlushAcquisitionWindows, if the sample will be scan in SelectedIonMonitoring mode or MultipleReactionMonitoring mode, the length of time for each mass selection or mass selection pairs.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Millisecond]..} | GreaterP[0 Millisecond] | Null)..}
ColumnFlushCollisionCellExit Voltages
For each member of ColumnFlushAcquisitionWindows, if the sample will be scanned in tandem mass spectrometry mode in ESI-QQQ, the value of the potential applied between collision cell and the second Quadrupole mass analyzer (MS2) to guide and focus the ion beam into MS2.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ColumnFlushMassDetectionStep Sizes
For each member of ColumnFlushAcquisitionWindows, the mass-to-charge value at which the mass spectrometer will record a data of the mass scan.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnFlushMultipleReaction MonitoringAssays
For each member of SamplesIn, if using ESI-QQQ as the mass spectrometry, that firstly targets the ion corresponding to the compound of interest with subsequent fragmentation of that target ion to produce a range of daughter ions. One (or more) of these fragment daughter ions can be selected for quantitation purposes. Only compounds that meet both these criteria, i.e. specific parent ion and specific daughter ions corresponding to the mass of the molecule of interest are detected within the mass spectrometer. The mass assays (MS1/MS2 mass value combinations) for each scan, along with the CollisionEnergy and dwell time (length of time of each scan).
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram 0 Gram
Hold[{(Association[MS1Mass -> {GreaterP[------]..} | Null, CollisionEnergy -> {UnitsP[0 Volt]..} | Null, MS2Mass -> {GreaterP[------]..} | Null, DwellTime -> {GreaterP[0 Millisecond]..} | Null] | {Null})..}]
Mole Mole
ColumnFlushNeutralLosses
For each member of ColumnFlushAcquisitionWindows, if the sample will be scanned in NeutralIonLoss mode, the value for the mass offset values between MS1 and MS2 (neutral ion loss value.).
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
ColumnFlushFragmentScanTimes
For each member of ColumnFlushAcquisitionWindows, the duration of time allowed to pass between each spectral acquisition for the product ions when ColumnFlushAcquisitionMode -> DataDependent.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnFlushAcquisitionSurveys
For each member of ColumnFlushAcquisitionWindows, indicates the number of intact ions to consider for fragmentation and acquisition in DataDependent acquistion mode.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
ColumnFlushMinimumThresholds
For each member of ColumnFlushAcquisitionWindows, the least number of total intact ions needed to be measured to elicit an acquisition program.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
ColumnFlushAcquisitionLimits
For each member of ColumnFlushAcquisitionWindows, the maximum number of measured ions allowed during a fragmentation measurement of a survey ion. Will proceed to the next intact ion/fragmentation once reached.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
ColumnFlushCycleTimeLimits
For each member of ColumnFlushAcquisitionWindows, the maximum duration allowable for a survey. Will proceed to the next cycle once reached.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnFlushExclusionDomains
For each member of ColumnFlushAcquisitionWindows, the time blocks within to consider for specific mass exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {{UnitsP[Minute], UnitsP[Minute]}..}
ColumnFlushExclusionMasses
For each member of ColumnFlushAcquisitionWindows, indicates the manner of omitting intact ions for acquisition survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{{ExclusionModeP, GreaterP[------]}..}]
Mole
ColumnFlushExclusionMass Tolerances
For each member of ColumnFlushAcquisitionWindows, the range above and below each ion in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnFlushExclusionRetention TimeTolerances
For each member of ColumnFlushAcquisitionWindows, the range above and below each retention time in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ColumnFlushInclusionDomains
For each member of ColumnFlushAcquisitionWindows, the time blocks within to consider for specific mass inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {{UnitsP[Minute], UnitsP[Minute]}..}
ColumnFlushInclusionMasses
For each member of ColumnFlushAcquisitionWindows, the intact ions to prioritize during survey acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{{InclusionModeP, GreaterP[------]}..}]
Mole
ColumnFlushInclusionCollision Energies
For each member of ColumnFlushAcquisitionWindows, the overriding collision energy to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Volt]..}
ColumnFlushInclusion DeclusteringVoltages
For each member of ColumnFlushAcquisitionWindows, the overriding source voltage to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Volt]..}
ColumnFlushInclusionCharge States
For each member of ColumnFlushAcquisitionWindows, the charge state isotopes to also consider for inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0, 1]..}
ColumnFlushInclusionScanTimes
For each member of ColumnFlushAcquisitionWindows, the overriding scan time to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Second]..}
ColumnFlushInclusionMass Tolerances
For each member of ColumnFlushAcquisitionWindows, the range above and below each ion in InclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnFlushChargeStateLimits
For each member of ColumnFlushAcquisitionWindows, the number of ions to survey before excluding for ion state properties.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterEqualP[0, 1]
ColumnFlushChargeState Selections
For each member of ColumnFlushAcquisitionWindows, the specific ionic states of intact ions to redundantly exclude from the survey for further fragmentation/acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[1, 1]..}
ColumnFlushChargeStateMass Tolerances
For each member of ColumnFlushAcquisitionWindows, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnFlushIsotopeMass Differences
For each member of ColumnFlushAcquisitionWindows, the delta between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Dalton]..}
ColumnFlushIsotopeRatios
For each member of ColumnFlushAcquisitionWindows, the minimum relative magnitude between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0]..}
ColumnFlushIsotopeDetection Minimums
For each member of ColumnFlushAcquisitionWindows, the acquisition rate of a given intact mass to consider for isotope exclusion in the survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 1
Hold[{GreaterP[0 ------]..}]
Second
ColumnFlushIsotopeRatio Tolerances
For each member of ColumnFlushAcquisitionWindows, the range of relative magnitude around IsotopeRatio and SecondaryIsotopeRatio to consider for isotope exclusion.
Format: Multiple
Class: Real
Unit: 1 percent
Programmatic Pattern: GreaterP[0 Percent]
ColumnFlushIsotopeMass Tolerances
For each member of ColumnFlushAcquisitionWindows, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ColumnFlushAbsorbance Selection
All the wavelengths of light absorbed in the detector's flow cell for a PhotoDiodeArray (PDA) detector for each column flush.
Format: Single
Class: Expression
Programmatic Pattern: {GreaterP[0 Centimeter]..}
ColumnFlushMinAbsorbance Wavelength
The wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Single
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
ColumnFlushMaxAbsorbance Wavelength
The maximum wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Single
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
ColumnFlushWavelength Resolution
The increment in wavelength of light absorbed in the detector's flow cell for a PDA detector.
Format: Single
Class: Real
Unit: 1 nanometer
Programmatic Pattern: GreaterP[0 Centimeter]
ColumnFlushUVFilter
Indicates whether or not to block UV wavelengths (less than 210 nm) from being transmitted through the sample for PDA detector.
Format: Single
Class: Boolean
Programmatic Pattern: BooleanP
ColumnFlushAbsorbanceSampling Rate
Indicates the frequency of measurement for UVVis or PDA detectors.
Format: Single
Class: Real
Unit: 1 reciprocal second
Programmatic Pattern: 1
Hold[GreaterP[0 ------]]
Second
Blank
ColumnFlushIonGuideVoltage
The absolute voltage applied to the tip of the stainless steel ESI (electrospray ionization) capillary tubing in order to produce charged droplets. This option is diagrammed as IonSprayVoltage for ESI-QQQ.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
Last modified on Mon 26 Sep 2022 15:43:50