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ExperimentFlashChromatography

ExperimentFlashChromatography[Samples]⟹Protocol

generates a Protocol to separate Samples via flash chromatography.

    
Flash chromatography is a column-based purification technique that uses air pressure to achieve more rapid separation than conventional gravity-based chromatography. A liquid mobile phase gradient flows through a stationary phase column. Analytes flow through the column and are selectively adsorbed based on their relative affinity, leading to differential retention of unique analyte molecules. Molecules are carried downstream for chemical property analysis and collection. Generally, molecular components are separated into analyzable, collectable constituents. Flash chromatography is more suitable for purification than analysis. Compared to HPLC, it is lower pressure, lower resolution, and has fewer detection options, but it is cheaper, it has higher flow rates, it allows higher sample loading, and it can more quickly purify large amounts of material.
    

Experimental Principles

    Figure 1.1: Procedural overview of a FlashChromatography experiment. Step 1: During the prime system, the system is primed with buffers. Step 2: After the Prime System, the Column is installed and equilibrated to measurement conditions, if LoadingType is Liquid or Solid. Step 3: Samples are then introduced into the flow path. Samples are injected by syringe into the injection valve (if LoadingType is Liquid), into a cartridge (if LoadingType is Solid), or are preloaded into the Column (if LoadingType is Preloaded). Step 4: The analytes are selectively retained on the downstream Column. Step 5: Upon exit from the column, the now separated analytes are analyzed according to their physical properties. Step 6: Based on the property measurement and specifications, analytes are saved in output containers, if CollectFractions is True. Step 7: The Column and flow path are air purged if AirPurge is True and the Column is removed from the system and stored or discarded. Step 8: The system is flushed with cleaning solvents. Return to Prime Column or Introduce Sample if there are more samples.

Instrumentation

    CombiFlash Rf 200

    Figure 2.1.1: Instrument diagram for the CombiFlash Rf 200 Flash Chromatography instrument. Up to two buffers, one chosen from A1 and A2, and one chosen from B1 and B2 are mixed at set proportions and subsequently pumped through the system with a gradient pump. If LoadingType is Liquid, the sample is loaded by syringe into the injection valve. If LoadingType is Solid, the sample is loaded into a cartridge. If LoadingType is Preloaded, the sample is loaded directly into the column. Within the column, molecular constituents are separated by adsorption -- a function of the buffers, column, and sample properties. Analytes are continuously carried downstream to the detectors, where they can elicit quantifiable peak signals. Fractions can be collected based on volume or on the properties of these resulting peaks.
    Figure 2.1.2: Principle of ultraviolet absorbance detection by a CCD array. Light from a deuterium lamp passes through the flow cell downstream of the column. After passing through the flow cell, the light is split and directed towards a detector with an array of pixels to measure absorbance of different wavelengths of light. Up to three types of measurements can be recorded: PrimaryWavelength which records absorbance from the pixels collecting a specified single wavelength of light ±5 nm, SecondaryWavelength which does the same for another wavelength, and WideRangeUV which records the average absorbance from the pixels of a range of wavelengths.

Experiment Options

    General

    Instrument

    The device that will separate the sample by differential adsorption by flowing the sample and buffer through a column, measure absorbance of UV light through the separated sample as it leaves the column, and collect fractions of the separated sample.
    Default Value: Model[Instrument, FlashChromatography, CombiFlash Rf 200]
    Pattern Description: An object of type or subtype Model[Instrument, FlashChromatography] or Object[Instrument, FlashChromatography]
    Programmatic Pattern: ObjectP[{Model[Instrument, FlashChromatography], Object[Instrument, FlashChromatography]}]

    SeparationMode

    The category of mobile and stationary phase used to elicit differential column retention. This option is used to suggest the column and buffers.
    Default Value: Automatic
    Default Calculation: If the specified columns and cartridges include a mix of normal and reverse phase, automatically set to NormalPhase. Otherwise, if the specified columns and cartridges are reverse phase, automatically set ReversePhase. Otherwise, automatically set to NormalPhase.
    Pattern Description: NormalPhase or ReversePhase.
    Programmatic Pattern: FlashChromatographySeparationModeP | Automatic

    Detector

    The type of measurement to employ. Currently, we offer only UV (measures the absorbance of UV light that passes through effluent from the column).
    Default Value: UV
    Pattern Description: UV.
    Programmatic Pattern: FlashChromatographyDetectorTypeP

    Column

    The item containing the stationary phase through which the buffers and sample flow. It adsorbs and separates the molecules within the sample based on the properties of the mobile phase, Samples, and column material (stationary phase).
    Default Value: Automatic
    Default Calculation: If LoadingAmount is unspecified, and the SeparationMode is ReversePhase resolve to Model[Item,Column,"RediSep Gold Reverse Phase C18 Column 15.5g"]. If LoadingAmount is unspecified, and the SeparationMode is NormalPhase resolve to Model[Item,Column,"RediSep Gold Normal Phase Silica Column 12g"]. If LoadingAmount is specified, resolve to the smallest column of the SeparationMode from the default list (see Table...) that is large enough that the column's VoidVolume times the MaxLoadingPercent is greater than or equal to the LoadingAmount.
    Pattern Description: An object of type or subtype Model[Item, Column] or Object[Item, Column]
    Programmatic Pattern: ObjectP[{Model[Item, Column], Object[Item, Column]}] | Automatic
    Index Matches to: experiment samples

    Preparation

    Indicates if this unit operation is carried out primarily robotically or manually. Manual unit operations are executed by a laboratory operator and robotic unit operations are executed by a liquid handling work cell.
    Default Value: Automatic
    Pattern Description: Manual or Robotic.
    Programmatic Pattern: PreparationMethodP | Automatic

    Priming

    BufferA

    The solvent pumped through channel A of the flow path. Typically, Buffer A is the weaker solvent (less polar for normal phase chromatography or more polar for reverse phase).
    Default Value: Automatic
    Default Calculation: Automatically set from the SeparationMode option. Defaults to Hexane for normal phase or Water for reverse phase.
    Pattern Description: An object of type or subtype Object[Sample] or Model[Sample] or a prepared sample.
    Programmatic Pattern: (ObjectP[{Object[Sample], Model[Sample]}] | _String) | Automatic

    BufferB

    The solvent pumped through channel B of the flow path. Typically, Buffer B is the stronger solvent (more polar for normal phase chromatography or less polar for reverse phase).
    Default Value: Automatic
    Default Calculation: Automatically set from the SeparationMode option. Defaults to Ethyl Acetate for normal phase or Methanol for reverse phase.
    Pattern Description: An object of type or subtype Object[Sample] or Model[Sample] or a prepared sample.
    Programmatic Pattern: (ObjectP[{Object[Sample], Model[Sample]}] | _String) | Automatic

    PreSampleEquilibration

    The length of time that of buffer is pumped through the column at the specified FlowRate prior to sample loading. The buffer used will be the initial composition of the Gradient.
    Default Value: Automatic
    Default Calculation: If LoadingType is Preloaded, automatically set to Null. Otherwise, automatically set to the length of time it takes for 3 column volumes of buffer to flow through the column (3 times the column's VoidVolume divided by the FlowRate).
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 999 minutes or Null.
    Programmatic Pattern: (RangeP[0*Minute, $MaxFlashChromatographyGradientTime] | Automatic) | Null
    Index Matches to: experiment samples

    Sample Loading

    LoadingType

    The method by which sample is introduced to the instrument: liquid injection, solid load cartridge, or preloaded directly on the column. With LoadingType->Liquid, the column is pre-equilibrated with BufferA and then the sample is loaded by syringe into the instrument's injection valve. With LoadingType->Solid, the column is equilibrated with BufferA and then the sample is loaded into a solid load cartridge packed with solid media which is upstream of the column. With LoadingType->Preloaded the sample is loaded by syringe directly into the column and no column pre-equilibration step occurs.
    Default Value: Automatic
    Default Calculation: Automatically set to Solid if any cartridge-related options (Cartridge, CartridgePackingMaterial, CartridgeFunctionalGroup, CartridgePackingMass, CartridgeDryingTime) are specified or to Liquid otherwise.
    Pattern Description: Liquid, Solid, or Preloaded.
    Programmatic Pattern: FlashChromatographyLoadingTypeP | Automatic
    Index Matches to: experiment samples

    LoadingAmount

    The volume of sample loaded into the flow path of the flash chromatography instrument that will be separated by differential adsorption.
    Default Value: Automatic
    Default Calculation: Automatically set to MaxLoadingPercent times the VoidVolume of the Column.
    Pattern Description: All or Liquid.
    Programmatic Pattern: (All | RangeP[0*Milliliter, 50*Milliliter]) | Automatic
    Index Matches to: experiment samples

    MaxLoadingPercent

    The maximum amount of liquid sample to be loaded on the flash chromatography instrument. Expressed as a percent of the Column's VoidVolume. If LoadingAmount is not specified, then LoadingAmount will be MaxLoadingPercent times the VoidVolume of the Column. If LoadingAmount is specified but Column is not, then a Column will be chosen such that its VoidVolume times MaxLoadingPercent is greater than or equal to the LoadingAmount. If both LoadingAmount and Column are specified, then MaxLoadingPercent must be greater than or equal to LoadingAmount divided by the Column's VoidVolume.
    Default Value: Automatic
    Default Calculation: Automatically set to 6% if the LoadingType is Liquid or Preloaded or to 12% if the LoadingType is Solid.
    Pattern Description: Greater than or equal to 0 percent and less than or equal to 100 percent.
    Programmatic Pattern: RangeP[0*Percent, 100*Percent] | Automatic
    Index Matches to: experiment samples

    Cartridge

    The item attached upstream of the column into which sample will be introduced if the Solid LoadingType is specified. If the Cartridge's PackingType is Prepacked, it is filled with solid media from the manufacturer. If it is HandPacked, it will be filled as specified by the CartridgePackingMaterial, CartridgeFunctionalGroup, and CartridgePackingMass options.
    Default Value: Automatic
    Default Calculation: If LoadingType is Solid, automatically set to a Prepacked cartridge model filled with Silica for NormalPhase SeparationMode or C18 for ReversePhase. Automatically choose a cartridge size based on the BedWeight of the resolved Column as described in Table... If LoadingType is not Solid, automatically set to Null.
    Pattern Description: An object of type or subtype Model[Container, ExtractionCartridge] or Object[Container, ExtractionCartridge] or a prepared sample or Null.
    Programmatic Pattern: ((ObjectP[{Model[Container, ExtractionCartridge], Object[Container, ExtractionCartridge]}] | _String) | Automatic) | Null
    Index Matches to: experiment samples

    CartridgePackingMaterial

    The material with which the solid load cartridge is filled. The sample will be loaded onto this material inside the cartridge.
    Default Value: Automatic
    Default Calculation: Automatically set to Null if Cartridge is Null. If the PackingType of the Cartridge is Prepacked, automatically set to the PackingMaterial of the Cartridge. Otherwise automatically set to Silica.
    Pattern Description: Silica or Null.
    Programmatic Pattern: (FlashChromatographyCartridgePackingMaterialP | Automatic) | Null
    Index Matches to: experiment samples

    CartridgeFunctionalGroup

    The functional group displayed on the material with which the solid load cartridge is filled.
    Default Value: Automatic
    Default Calculation: Automatically set to Null if Cartridge is Null. If the PackingType of the Cartridge is Prepacked, automatically set to the FunctionalGroup of the Cartridge. Otherwise automatically set to C18 if SeparationMode is ReversePhase or to Null otherwise.
    Pattern Description: C18 or Null.
    Programmatic Pattern: (FlashChromatographyCartridgeFunctionalGroupP | Automatic) | Null
    Index Matches to: experiment samples

    CartridgePackingMass

    The mass of the material with which the solid load cartridge is filled.
    Default Value: Automatic
    Default Calculation: Automatically set to Null if Cartridge is Null. If the PackingType of the Cartridge is Prepacked, automatically set to the BedWeight of the Cartridge. Otherwise automatically set to the BedWeight of the Column or to the MaxBedWeight of the Cartridge, whichever is smaller.
    Pattern Description: Greater than or equal to 0 grams and less than or equal to 65 grams or Null.
    Programmatic Pattern: (RangeP[0*Gram, 65*Gram] | Automatic) | Null
    Index Matches to: experiment samples

    CartridgeDryingTime

    The duration of time for which the solid sample cartridge is dried with pressurized air after the sample is loaded.
    Default Value: Automatic
    Default Calculation: Automatically set to Null if Cartridge is Null, otherwise set to 0 minutes.
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 15 minutes or Null.
    Programmatic Pattern: (RangeP[0*Minute, 15*Minute] | Automatic) | Null
    Index Matches to: experiment samples

    Separation

    GradientA

    The composition of BufferA within the flow over time, in the form {Time, % Buffer A}. The composition is linearly interpolated for the intervening periods between the defined time points. For example for GradientA->{{0 Minute, 90 Percent},{30 Minute, 10 Percent}}, the percentage of BufferA in the flow will rise such that at 15 minutes, the composition is 50 Percent.
    Default Value: Automatic
    Default Calculation: Automatically set from the GradientB option by complementing 100%.
    Pattern Description: List of one or more {Time, Buffer A Composition} entries.
    Programmatic Pattern: {{RangeP[0*Minute, $MaxFlashChromatographyGradientTime], RangeP[0*Percent, 100*Percent]}..} | Automatic
    Index Matches to: experiment samples

    GradientB

    The composition of BufferB within the flow over time, in the form {Time, % Buffer B}. The composition is linearly interpolated for the intervening periods between the defined time points. For example for GradientB->{{0 Minute, 10 Percent},{30 Minute, 90 Percent}}, the percentage of BufferB in the flow will rise such that at 15 minutes, the composition is 50 Percent.
    Default Value: Automatic
    Default Calculation: If they are specified, automatically set from the gradient shortcut options (GradientStart, GradientEnd, GradientDuration, EquilibrationTime, and FlushTime). Otherwise if Gradient is specified, automatically set from the Gradient option. Otherwise, if GradientA is specified, automatically set from the GradientA option by complementing 100%. Otherwise, automatically set such that the gradient stays at 0% for X min, ramps from 0% to 100% over 12*X min, stays at 100% for 2*X min, then stays at 50% for 2*X min for C18 or C8 columns or at 0% for X min for other columns. For large columns, X is approximately the length of time it takes for one column volume of liquid to flow through the column. For small columns it is longer so as not too ramp too quickly for effective separation. X min = ( (55.5361 gram^2)/(the column's BedWeight in grams)^2 + 1 ) * (the column's VoidVolume in mL) / (the FlowRate in mL/min).
    Pattern Description: List of one or more {Time, Buffer B Composition} entries.
    Programmatic Pattern: {{RangeP[0*Minute, $MaxFlashChromatographyGradientTime], RangeP[0*Percent, 100*Percent]}..} | Automatic
    Index Matches to: experiment samples

    FlowRate

    The speed of the fluid through the pump and into the column after the sample is loaded during separation.
    Default Value: Automatic
    Default Calculation: Automatically set to a rate appropriate for the column size and type.
    Pattern Description: Greater than or equal to 5 milliliters per minute and less than or equal to 200 milliliters per minute.
    Programmatic Pattern: RangeP[5*(Milliliter/Minute), 200*(Milliliter/Minute)] | Automatic
    Index Matches to: experiment samples

    GradientStart

    A shorthand option to specify the starting BufferB composition in the fluid flow. This option must be specified with GradientEnd and GradientDuration.
    Default Value: Null
    Pattern Description: Greater than or equal to 0 percent and less than or equal to 100 percent or Null.
    Programmatic Pattern: RangeP[0*Percent, 100*Percent] | Null
    Index Matches to: experiment samples

    GradientEnd

    A shorthand option to specify the final BufferB composition in the fluid flow. This option must be specified with GradientStart and GradientDuration.
    Default Value: Null
    Pattern Description: Greater than or equal to 0 percent and less than or equal to 100 percent or Null.
    Programmatic Pattern: RangeP[0*Percent, 100*Percent] | Null
    Index Matches to: experiment samples

    GradientDuration

    A shorthand option to specify the total length of time during which the buffer composition changes. This option must be specified with GradientStart and GradientEnd.
    Default Value: Null
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 999 minutes or Null.
    Programmatic Pattern: RangeP[0*Minute, $MaxFlashChromatographyGradientTime] | Null
    Index Matches to: experiment samples

    EquilibrationTime

    A shorthand option to specify the duration of equilibration at the starting buffer composition before the start of gradient change. The buffer composition is the same as that of GradientStart. This option must be specified with GradientStart.
    Default Value: Null
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 999 minutes or Null.
    Programmatic Pattern: RangeP[0*Minute, $MaxFlashChromatographyGradientTime] | Null
    Index Matches to: experiment samples

    FlushTime

    A shorthand option to specify the duration of constant buffer composition flushing at the end of the gradient change. The buffer composition is the same as that of GradientEnd. This option must be specified with GradientEnd.
    Default Value: Null
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 999 minutes or Null.
    Programmatic Pattern: RangeP[0*Minute, $MaxFlashChromatographyGradientTime] | Null
    Index Matches to: experiment samples

    Gradient

    The composition of BufferA and BufferB within the flow over time, in the form {Time, % Buffer A, % Buffer B}. The composition is linearly interpolated for the intervening periods between the defined time points. For example for Gradient->{{0 Minute, 90 Percent, 10 Percent},{30 Minute, 10 Percent, 90 Percent}}, the percentage of BufferB in the flow will rise such that at 15 minutes, the composition is 50 Percent.
    Default Value: Automatic
    Default Calculation: Automatically set to match GradientA and GradientB.
    Pattern Description: List of one or more {Time, Buffer A Composition, Buffer B Composition} entries.
    Programmatic Pattern: {{RangeP[0*Minute, $MaxFlashChromatographyGradientTime], RangeP[0*Percent, 100*Percent], RangeP[0*Percent, 100*Percent]}..} | Automatic
    Index Matches to: experiment samples

    Fraction Collection

    CollectFractions

    Indicates if effluents from the column (fractions) should be captured and stored.
    Default Value: True
    Pattern Description: True or False.
    Programmatic Pattern: BooleanP
    Index Matches to: experiment samples

    FractionCollectionStartTime

    The time at which to start column effluent capture. Time is measured from the start of the Gradient.
    Default Value: Automatic
    Default Calculation: Automatically set to 0 minutes if CollectFractions is True, or to Null otherwise.
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 999 minutes or Null.
    Programmatic Pattern: (RangeP[0*Minute, $MaxFlashChromatographyGradientTime] | Automatic) | Null
    Index Matches to: experiment samples

    FractionCollectionEndTime

    The time at which to end column effluent capture. Time is measured from the start of the Gradient. Fraction collection will end at this time regardless of peak collection status.
    Default Value: Automatic
    Default Calculation: Automatically set to the last time point of the Gradient if CollectFractions is True, or to Null otherwise.
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 999 minutes or Null.
    Programmatic Pattern: (RangeP[0*Minute, $MaxFlashChromatographyGradientTime] | Automatic) | Null
    Index Matches to: experiment samples

    FractionContainer

    The type of containers in which fractions of the separated sample are collected after flowing out of the the column and past the detector.
    Default Value: Automatic
    Default Calculation: If CollectFractions is False, resolve to Null. If CollectFractions is True and MaxFractionVolume is specified, resolve to the smallest compatible container large enough to hold the MaxFractionVolume. Otherwise resolve to Model[Container,Vessel,"15mL Tube"].
    Pattern Description: An object of type or subtype Model[Container, Vessel] or Null.
    Programmatic Pattern: (ObjectP[Model[Container, Vessel]] | Automatic) | Null
    Index Matches to: experiment samples

    MaxFractionVolume

    The maximum volume of effluent collected in a single fraction container before moving on to the next fraction container.
    Default Value: Automatic
    Default Calculation: Automatically set to 80% of the value of the MaxVolume field of the FractionContainer.
    Pattern Description: Greater than or equal to 1 milliliter and less than or equal to 50 milliliters or Null.
    Programmatic Pattern: (RangeP[1*Milliliter, 50*Milliliter] | Automatic) | Null
    Index Matches to: experiment samples

    FractionCollectionMode

    Indicates if All effluent from the column should be collected as fractions with MaxFractionVolume, or only effluent corresponding to Peaks detected by PeakDetectors.
    Default Value: Automatic
    Default Calculation: Automatically set to Peaks if CollectionFractions is True. Automatically set to Null if CollectFractions is False.
    Pattern Description: All or Peaks or Null.
    Programmatic Pattern: ((All | Peaks) | Automatic) | Null
    Index Matches to: experiment samples

    Detection

    Detectors

    The set or sets of wavelengths of light used to measure absorbance through the separated sample. Independent measurements are collected using up to three of a single primary wavelength, a single secondary wavelength, and the average of a wide range of wavelengths.
    Default Value: All
    Pattern Description: All or Select.
    Programmatic Pattern: DuplicateFreeListableP[PrimaryWavelength | SecondaryWavelength | WideRangeUV] | All
    Index Matches to: experiment samples

    PrimaryWavelength

    The wavelength of light passed through the flow cell whose absorbance is measured by the PrimaryWavelength Detector.
    Default Value: Automatic
    Default Calculation: Automatically set to 254 Nanometer if PrimaryWavelength is one of the Detectors or to Null otherwise.
    Pattern Description: Greater than or equal to 200 nanometers and less than or equal to 360 nanometers or Null.
    Programmatic Pattern: (RangeP[200*Nanometer, 360*Nanometer] | Automatic) | Null
    Index Matches to: experiment samples

    SecondaryWavelength

    The wavelength of light passed through the flow cell whose absorbance is measured by the SecondaryWavelength Detector.
    Default Value: Automatic
    Default Calculation: Automatically set to 280 Nanometer if SecondaryWavelength is one of the Detectors or to Null otherwise.
    Pattern Description: Greater than or equal to 200 nanometers and less than or equal to 360 nanometers or Null.
    Programmatic Pattern: (RangeP[200*Nanometer, 360*Nanometer] | Automatic) | Null
    Index Matches to: experiment samples

    WideRangeUV

    The span of wavelengths of UV light passed through the flow cell from which a single absorbance value is measured by the WideRangeUV Detector. The total absorbance from wavelengths in the specified range is measured. All indicates that the absorbance from all wavelengths in the range from 200 to 360 nanometers will be measured.
    Default Value: Automatic
    Default Calculation: Automatically set to All (200 to 360 nanometers) if WideRangeUV is one of the Detectors or to Null otherwise.
    Pattern Description: All or Range or Null.
    Programmatic Pattern: ((All | RangeP[200*Nanometer, 360*Nanometer] ;; RangeP[200*Nanometer, 360*Nanometer]) | Automatic) | Null
    Index Matches to: experiment samples

    PeakDetectors

    The set of detectors (PrimaryWavelength, SecondaryWavelength, and/or WideRangeUV) used to identify peaks in absorbance through the sample. A peak is called if there is a peak in called by any of the detectors.
    Default Value: Automatic
    Default Calculation: Automatically set to include whichever of PrimaryWavelength and SecondaryWavelength are present in Detectors and WideRangeUV if it is present in Detectors and any WideRangeUV-related peak detection options are specified. Otherwise automatically set to {WideRangeUV}.
    Pattern Description: A selection of one or more of PrimaryWavelength, SecondaryWavelength, or WideRangeUV or Null.
    Programmatic Pattern: (DuplicateFreeListableP[PrimaryWavelength | SecondaryWavelength | WideRangeUV] | Automatic) | Null
    Index Matches to: experiment samples

    PrimaryWavelengthPeakDetectionMethod

    The method(s) by which the sample's absorbance measurements from the PrimaryWavelength Detector are used to call peaks (and to collect those peaks as fractions if FractionCollectionMethod is Peaks). Slope calls peaks by an algorithm that looks for sudden increases in slope leading to peaks that persist for a specified duration (PrimaryWavelengthPeakWidth). Threshold calls peaks if the absorbance measurement increases above a specified value (PrimaryWavelengthPeakThreshold). If both Slope and Threshold are selected, a peak will be called whenever either or both methods would have called a peak individually.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include PrimaryWavelength, or both PrimaryWavelengthPeakWidth and PrimaryWavelengthPeakThreshold are Null, automatically set to Null. Otherwise, if PrimaryWavelengthPeakWidth is specified or Automatic, include Slope and if PrimaryWavelengthPeakThreshold is specified, include Threshold. Also include Threshold if PrimaryWavelengthPeakWidth is Null and PrimaryWavelengthPeakThreshold is Automatic.
    Pattern Description: A selection of one or more of Slope or Threshold or Null.
    Programmatic Pattern: (DuplicateFreeListableP[Slope | Threshold] | Automatic) | Null
    Index Matches to: experiment samples

    PrimaryWavelengthPeakWidth

    The peak width parameter for the slope-based peak calling algorithm operating on the absorbance measurements from the PrimaryWavelength Detector. When PrimaryWavelengthPeakDetectionMethod includes Slope, the slope detection algorithm will detect peaks in the absorbance measurements from the PrimaryWavelength Detector with widths between 20% and 200% of this value.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include PrimaryWavelength or PrimaryWavelengthPeakDetectionMethod doesn't include Slope, automatically set to Null. Otherwise, automatically set to 1 Minute.
    Pattern Description: 15 seconds, 30 seconds, 1 minute, 2 minutes, 4 minutes, or 8 minutes or Null.
    Programmatic Pattern: (FlashChromatographyPeakWidthP | Automatic) | Null
    Index Matches to: experiment samples

    PrimaryWavelengthPeakThreshold

    The signal value from the PrimaryWavelength absorbance Detector above which fractions will always be collected when PrimaryWavelengthPeakDetectionMethod includes Threshold. Instrument CombiFlash Rf 200 has an upper limit of 0.5 Absorbance Units for this threshold.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include PrimaryWavelength or PrimaryWavelengthPeakDetectionMethod doesn't include Threshold, automatically set to Null. Otherwise, automatically set to 200 MilliAbsorbanceUnit.
    Pattern Description: Greater than or equal to 0 milli AbsorbanceUnit and less than or equal to 500 milli AbsorbanceUnit or Null.
    Programmatic Pattern: (RangeP[0*MilliAbsorbanceUnit, 500*MilliAbsorbanceUnit] | Automatic) | Null
    Index Matches to: experiment samples

    SecondaryWavelengthPeakDetectionMethod

    The method(s) by which the sample's absorbance measurements from the SecondaryWavelength Detector are used to call peaks (and to collect those peaks as fractions if FractionCollectionMethod is Peaks). Slope calls peaks by an algorithm that looks for sudden increases in slope leading to peaks that persist for a specified duration (SecondaryWavelengthPeakWidth). Threshold calls peaks if the absorbance measurement increases above a specified value (SecondaryWavelengthPeakThreshold). If both Slope and Threshold are selected, a peak will be called whenever either or both of them would have called a peak individually.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include SecondaryWavelength, or both SecondaryWavelengthPeakWidth and SecondaryWavelengthPeakThreshold are Null, automatically set to Null. Otherwise, if SecondaryWavelengthPeakWidth is specified or Automatic, include Slope and if SecondaryWavelengthPeakThreshold is specified, include Threshold. Also include Threshold if SecondaryWavelengthPeakWidth is Null and SecondaryWavelengthPeakThreshold is Automatic.
    Pattern Description: A selection of one or more of Slope or Threshold or Null.
    Programmatic Pattern: (DuplicateFreeListableP[Slope | Threshold] | Automatic) | Null
    Index Matches to: experiment samples

    SecondaryWavelengthPeakWidth

    The peak width parameter for the slope-based peak calling algorithm operating on the absorbance measurements from the SecondaryWavelength Detector. When SecondaryWavelengthPeakDetectionMethod includes Slope, the slope detection algorithm will detect peaks in the absorbance measurements from the SecondaryWavelength Detector with widths between 20% and 200% of this value.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include SecondaryWavelength or SecondaryWavelengthPeakDetectionMethod doesn't include Slope, automatically set to Null. Otherwise, automatically set to 1 Minute.
    Pattern Description: 15 seconds, 30 seconds, 1 minute, 2 minutes, 4 minutes, or 8 minutes or Null.
    Programmatic Pattern: (FlashChromatographyPeakWidthP | Automatic) | Null
    Index Matches to: experiment samples

    SecondaryWavelengthPeakThreshold

    The signal value from the SecondaryWavelength absorbance Detector above which fractions will always be collected when SecondaryWavelengthPeakDetectionMethod includes Threshold. Instrument CombiFlash Rf 200 has an upper limit of 0.5 Absorbance Units for this threshold.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include SecondaryWavelength or SecondaryWavelengthPeakDetectionMethod doesn't include Threshold, automatically set to Null. Otherwise, automatically set to 200 MilliAbsorbanceUnit.
    Pattern Description: Greater than or equal to 0 milli AbsorbanceUnit and less than or equal to 500 milli AbsorbanceUnit or Null.
    Programmatic Pattern: (RangeP[0*MilliAbsorbanceUnit, 500*MilliAbsorbanceUnit] | Automatic) | Null
    Index Matches to: experiment samples

    WideRangeUVPeakDetectionMethod

    The method(s) by which the sample's absorbance measurements from the WideRangeUV Detector are used to call peaks (and to collect those peaks as fractions if FractionCollectionMethod is Peaks). Slope calls peaks by an algorithm that looks for sudden increases in slope leading to peaks that persist for a specified duration (WideRangeUVPeakWidth). Threshold calls peaks if the absorbance measurement increases above a specified value (WideRangeUVPeakThreshold). If both Slope and Threshold are selected, a peak will be called whenever either or both of them would have called a peak individually.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include WideRangeUV, or both WideRangeUVPeakWidth and WideRangeUVPeakThreshold are Null, automatically set to Null. Otherwise, if WideRangeUVPeakWidth is specified or Automatic, include Slope and if WideRangeUVPeakThreshold is specified, include Threshold. Also include Threshold if WideRangeUVPeakWidth is Null and WideRangeUVPeakThreshold is Automatic.
    Pattern Description: A selection of one or more of Slope or Threshold or Null.
    Programmatic Pattern: (DuplicateFreeListableP[Slope | Threshold] | Automatic) | Null
    Index Matches to: experiment samples

    WideRangeUVPeakWidth

    The peak width parameter for the slope-based peak calling algorithm operating on the absorbance measurements from the WideRangeUV Detector. When WideRangeUVPeakDetectionMethod includes Slope, the slope detection algorithm will detect peaks in the absorbance measurements from the WideRangeUV Detector with widths between 20% and 200% of this value.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include WideRangeUV or WideRangeUVPeakDetectionMethod doesn't include Slope, automatically set to Null. Otherwise, automatically set to 1 Minute.
    Pattern Description: 15 seconds, 30 seconds, 1 minute, 2 minutes, 4 minutes, or 8 minutes or Null.
    Programmatic Pattern: (FlashChromatographyPeakWidthP | Automatic) | Null
    Index Matches to: experiment samples

    WideRangeUVPeakThreshold

    The signal value from the WideRangeUV absorbance Detector above which fractions will always be collected when WideRangeUVPeakDetectionMethod includes Threshold. Instrument CombiFlash Rf 200 has an upper limit of 0.5 Absorbance Units for this threshold.
    Default Value: Automatic
    Default Calculation: If PeakDetectors doesn't include WideRangeUV or WideRangeUVPeakDetectionMethod doesn't include Threshold, automatically set to Null. Otherwise, automatically set to 200 MilliAbsorbanceUnit.
    Pattern Description: Greater than or equal to 0 milli AbsorbanceUnit and less than or equal to 500 milli AbsorbanceUnit or Null.
    Programmatic Pattern: (RangeP[0*MilliAbsorbanceUnit, 500*MilliAbsorbanceUnit] | Automatic) | Null
    Index Matches to: experiment samples

    Cleaning

    ColumnStorageCondition

    Indicates whether the column should be disposed of or stored after the sample run is completed and, if stored, under what condition it should be stored.
    Default Value: Automatic
    Default Calculation: Automatically set to Disposal for single-use columns (Reusability->True) and AmbientStorage for multiple-use columns (Reusability->False). If Reusability is Null, automatically set to AmbientStorage for columns with C18, C8 or Amine FunctionalGroup, and to Disposal otherwise.
    Pattern Description: {AmbientStorage, Refrigerator, Freezer, DeepFreezer, CryogenicStorage, YeastIncubation, YeastShakingIncubation, BacterialIncubation, BacterialShakingIncubation, MammalianIncubation, ViralIncubation, CrystalIncubation, AcceleratedTesting, IntermediateTesting, LongTermTesting, UVVisLightTesting} or Disposal.
    Programmatic Pattern: (SampleStorageTypeP | Disposal) | Automatic
    Index Matches to: experiment samples

    AirPurgeDuration

    The amount of time to force pressurized air through the column to remove mobile phase liquid from the column.
    Default Value: Automatic
    Default Calculation: Automatically set to 1 minute if ColumnStorageCondition is Disposal, otherwise automatically set to 0 minutes.
    Pattern Description: Greater than or equal to 0 seconds and less than or equal to 20 minutes or Null.
    Programmatic Pattern: (RangeP[0*Second, 20*Minute] | Automatic) | Null
    Index Matches to: experiment samples

    Post Experiment

    SamplesInStorageCondition

    The non-default conditions under which the SamplesIn of this experiment should be stored after the protocol is completed. If left unset, SamplesIn will be stored according to their current StorageCondition.
    Default Value: Null
    Pattern Description: {AmbientStorage, Refrigerator, Freezer, DeepFreezer, CryogenicStorage, YeastIncubation, YeastShakingIncubation, BacterialIncubation, BacterialShakingIncubation, MammalianIncubation, ViralIncubation, CrystalIncubation, AcceleratedTesting, IntermediateTesting, LongTermTesting, UVVisLightTesting} or Disposal or Null.
    Programmatic Pattern: (Alternatives[SampleStorageTypeP | Disposal]) | Null
    Index Matches to: experiment samples

    SamplesOutStorageCondition

    The non-default conditions under which any new samples generated by this experiment should be stored after the protocol is completed. If left unset, the new samples will be stored according to their Models' DefaultStorageCondition.
    Default Value: Null
    Pattern Description: {AmbientStorage, Refrigerator, Freezer, DeepFreezer, CryogenicStorage, YeastIncubation, YeastShakingIncubation, BacterialIncubation, BacterialShakingIncubation, MammalianIncubation, ViralIncubation, CrystalIncubation, AcceleratedTesting, IntermediateTesting, LongTermTesting, UVVisLightTesting} or Disposal or Null.
    Programmatic Pattern: (Alternatives[SampleStorageTypeP | Disposal]) | Null
    Index Matches to: experiment samples

Sample Prep Options

    Sample Preparation

    PreparatoryUnitOperations

    Specifies a sequence of transferring, aliquoting, consolidating, or mixing of new or existing samples before the main experiment. These prepared samples can be used in the main experiment by referencing their defined name. For more information, please reference the documentation for ExperimentSampleManipulation.
    Default Value: Null
    Pattern Description: List of one or more unit Operation ManualSamplePreparation or RoboticSamplePreparation or unit Operation must match SamplePreparationP entries or Null.
    Programmatic Pattern: {((ManualSamplePreparationMethodP | RoboticSamplePreparationMethodP) | SamplePreparationP)..} | Null

    PreparatoryPrimitives

    Specifies a sequence of transferring, aliquoting, consolidating, or mixing of new or existing samples before the main experiment. These prepared samples can be used in the main experiment by referencing their defined name. For more information, please reference the documentation for ExperimentSampleManipulation.
    Default Value: Null
    Pattern Description: List of one or more a primitive with head Define, Transfer, Mix, Aliquot, Consolidation, FillToVolume, Incubate, Filter, Wait, Centrifuge, or Resuspend entries or Null.
    Programmatic Pattern: {SampleManipulationP..} | Null

    Preparatory Incubation

    Incubate

    Indicates if the SamplesIn should be incubated at a fixed temperature prior to starting the experiment or any aliquoting. Sample Preparation occurs in the order of Incubation, Centrifugation, Filtration, and then Aliquoting (if specified).
    Default Value: Automatic
    Default Calculation: Resolves to True if any of the corresponding Incubation options are set. Otherwise, resolves to False.
    Pattern Description: True or False.
    Programmatic Pattern: BooleanP | Automatic
    Index Matches to: experiment samples

    IncubationTemperature

    Temperature at which the SamplesIn should be incubated for the duration of the IncubationTime prior to starting the experiment.
    Default Value: Automatic
    Pattern Description: Ambient or greater than or equal to -20 degrees Celsius and less than or equal to 500 degrees Celsius or Null.
    Programmatic Pattern: ((Ambient | RangeP[$MinIncubationTemperature, $MaxIncubationTemperature]) | Automatic) | Null
    Index Matches to: experiment samples

    IncubationTime

    Duration for which SamplesIn should be incubated at the IncubationTemperature, prior to starting the experiment.
    Default Value: Automatic
    Pattern Description: Greater than or equal to 1 minute and less than or equal to 72 hours or Null.
    Programmatic Pattern: (RangeP[1*Minute, $MaxExperimentTime] | Automatic) | Null
    Index Matches to: experiment samples

    Mix

    Indicates if this sample should be mixed while incubated, prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Automatically resolves to True if any Mix related options are set. Otherwise, resolves to False.
    Pattern Description: True or False or Null.
    Programmatic Pattern: (BooleanP | Automatic) | Null
    Index Matches to: experiment samples

    MixType

    Indicates the style of motion used to mix the sample, prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Automatically resolves based on the container of the sample and the Mix option.
    Pattern Description: Roll, Vortex, Sonicate, Pipette, Invert, Stir, Shake, Homogenize, Swirl, Disrupt, or Nutate or Null.
    Programmatic Pattern: (MixTypeP | Automatic) | Null
    Index Matches to: experiment samples

    MixUntilDissolved

    Indicates if the mix should be continued up to the MaxIncubationTime or MaxNumberOfMixes (chosen according to the mix Type), in an attempt dissolve any solute. Any mixing/incubation will occur prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Automatically resolves to True if MaxIncubationTime or MaxNumberOfMixes is set.
    Pattern Description: True or False or Null.
    Programmatic Pattern: (BooleanP | Automatic) | Null
    Index Matches to: experiment samples

    MaxIncubationTime

    Maximum duration of time for which the samples will be mixed while incubated in an attempt to dissolve any solute, if the MixUntilDissolved option is chosen. This occurs prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Automatically resolves based on MixType, MixUntilDissolved, and the container of the given sample.
    Pattern Description: Greater than or equal to 1 minute and less than or equal to 72 hours or Null.
    Programmatic Pattern: (RangeP[1*Minute, $MaxExperimentTime] | Automatic) | Null
    Index Matches to: experiment samples

    IncubationInstrument

    The instrument used to perform the Mix and/or Incubation, prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Automatically resolves based on the options Mix, Temperature, MixType and container of the sample.
    Pattern Description: An object of type or subtype Model[Instrument, Roller], Model[Instrument, OverheadStirrer], Model[Instrument, Vortex], Model[Instrument, Shaker], Model[Instrument, BottleRoller], Model[Instrument, Roller], Model[Instrument, Sonicator], Model[Instrument, HeatBlock], Model[Instrument, Homogenizer], Model[Instrument, Disruptor], Model[Instrument, Nutator], Model[Instrument, Thermocycler], Model[Instrument, EnvironmentalChamber], Model[Instrument, Pipette], Object[Instrument, Roller], Object[Instrument, OverheadStirrer], Object[Instrument, Vortex], Object[Instrument, Shaker], Object[Instrument, BottleRoller], Object[Instrument, Roller], Object[Instrument, Sonicator], Object[Instrument, HeatBlock], Object[Instrument, Homogenizer], Object[Instrument, Disruptor], Object[Instrument, Nutator], Object[Instrument, Thermocycler], Object[Instrument, EnvironmentalChamber], or Object[Instrument, Pipette] or Null.
    Programmatic Pattern: (ObjectP[Join[MixInstrumentModels, MixInstrumentObjects]] | Automatic) | Null
    Index Matches to: experiment samples

    AnnealingTime

    Minimum duration for which the SamplesIn should remain in the incubator allowing the system to settle to room temperature after the IncubationTime has passed but prior to starting the experiment.
    Default Value: Automatic
    Pattern Description: Greater than or equal to 0 minutes and less than or equal to 72 hours or Null.
    Programmatic Pattern: (RangeP[0*Minute, $MaxExperimentTime] | Automatic) | Null
    Index Matches to: experiment samples

    IncubateAliquotContainer

    The desired type of container that should be used to prepare and house the incubation samples which should be used in lieu of the SamplesIn for the experiment.
    Default Value: Automatic
    Pattern Description: An object of type or subtype Model[Container] or {Index, Container} or Null.
    Programmatic Pattern: ((ObjectP[Model[Container]] | {GreaterEqualP[1, 1] | (Automatic | Null), (ObjectP[{Model[Container], Object[Container]}] | _String) | Automatic}) | Automatic) | Null
    Index Matches to: experiment samples

    IncubateAliquotDestinationWell

    The desired position in the corresponding IncubateAliquotContainer in which the aliquot samples will be placed.
    Default Value: Automatic
    Default Calculation: Automatically resolves to A1 in containers with only one position. For plates, fills wells in the order provided by the function AllWells.
    Pattern Description: Any well from A1 to H12 or Null.
    Programmatic Pattern: (WellPositionP | Automatic) | Null
    Index Matches to: experiment samples

    IncubateAliquot

    The amount of each sample that should be transferred from the SamplesIn into the IncubateAliquotContainer when performing an aliquot before incubation.
    Default Value: Automatic
    Default Calculation: Automatically set as the smaller between the current sample volume and the maximum volume of the destination container.
    Pattern Description: All or greater than or equal to 1 microliter and less than or equal to 20 liters or Null.
    Programmatic Pattern: ((RangeP[1*Microliter, 20*Liter] | All) | Automatic) | Null
    Index Matches to: experiment samples

    Preparatory Centrifugation

    Centrifuge

    Indicates if the SamplesIn should be centrifuged prior to starting the experiment or any aliquoting. Sample Preparation occurs in the order of Incubation, Centrifugation, Filtration, and then Aliquoting (if specified).
    Default Value: Automatic
    Default Calculation: Resolves to True if any of the corresponding Centrifuge options are set. Otherwise, resolves to False.
    Pattern Description: True or False.
    Programmatic Pattern: BooleanP | Automatic
    Index Matches to: experiment samples

    CentrifugeInstrument

    The centrifuge that will be used to spin the provided samples prior to starting the experiment.
    Default Value: Automatic
    Pattern Description: An object of type or subtype Model[Instrument, Centrifuge] or Object[Instrument, Centrifuge] or Null.
    Programmatic Pattern: (ObjectP[{Model[Instrument, Centrifuge], Object[Instrument, Centrifuge]}] | Automatic) | Null
    Index Matches to: experiment samples

    CentrifugeIntensity

    The rotational speed or the force that will be applied to the samples by centrifugation prior to starting the experiment.
    Default Value: Automatic
    Pattern Description: Greater than 0 revolutions per minute or greater than 0 standard accelerations due to gravity on the surface of the earth or Null.
    Programmatic Pattern: ((GreaterP[0*RPM] | GreaterP[0*GravitationalAcceleration]) | Automatic) | Null
    Index Matches to: experiment samples

    CentrifugeTime

    The amount of time for which the SamplesIn should be centrifuged prior to starting the experiment.
    Default Value: Automatic
    Pattern Description: Greater than 0 minutes or Null.
    Programmatic Pattern: (GreaterP[0*Minute] | Automatic) | Null
    Index Matches to: experiment samples

    CentrifugeTemperature

    The temperature at which the centrifuge chamber should be held while the samples are being centrifuged prior to starting the experiment.
    Default Value: Automatic
    Pattern Description: Ambient or greater than or equal to -10 degrees Celsius and less than or equal to 40 degrees Celsius or Null.
    Programmatic Pattern: ((Ambient | RangeP[-10*Celsius, 40*Celsius]) | Automatic) | Null
    Index Matches to: experiment samples

    CentrifugeAliquotContainer

    The desired type of container that should be used to prepare and house the centrifuge samples which should be used in lieu of the SamplesIn for the experiment.
    Default Value: Automatic
    Pattern Description: An object of type or subtype Model[Container] or {Index, Container} or Null.
    Programmatic Pattern: ((ObjectP[Model[Container]] | {GreaterEqualP[1, 1] | (Automatic | Null), (ObjectP[{Model[Container], Object[Container]}] | _String) | Automatic}) | Automatic) | Null
    Index Matches to: experiment samples

    CentrifugeAliquotDestinationWell

    The desired position in the corresponding AliquotContainer in which the aliquot samples will be placed.
    Default Value: Automatic
    Default Calculation: Automatically resolves to A1 in containers with only one position. For plates, fills wells in the order provided by the function AllWells.
    Pattern Description: Any well from A1 to H12 or Null.
    Programmatic Pattern: (WellPositionP | Automatic) | Null
    Index Matches to: experiment samples

    CentrifugeAliquot

    The amount of each sample that should be transferred from the SamplesIn into the CentrifugeAliquotContainer when performing an aliquot before centrifugation.
    Default Value: Automatic
    Default Calculation: Automatically set as the smaller between the current sample volume and the maximum volume of the destination container.
    Pattern Description: All or greater than or equal to 1 microliter and less than or equal to 20 liters or Null.
    Programmatic Pattern: ((RangeP[1*Microliter, 20*Liter] | All) | Automatic) | Null
    Index Matches to: experiment samples

    Preparatory Filtering

    Filtration

    Indicates if the SamplesIn should be filter prior to starting the experiment or any aliquoting. Sample Preparation occurs in the order of Incubation, Centrifugation, Filtration, and then Aliquoting (if specified).
    Default Value: Automatic
    Default Calculation: Resolves to True if any of the corresponding Filter options are set. Otherwise, resolves to False.
    Pattern Description: True or False.
    Programmatic Pattern: BooleanP | Automatic
    Index Matches to: experiment samples

    FiltrationType

    The type of filtration method that should be used to perform the filtration.
    Default Value: Automatic
    Default Calculation: Will automatically resolve to a filtration type appropriate for the volume of sample being filtered.
    Pattern Description: PeristalticPump, Centrifuge, Vacuum, Syringe, or AirPressure or Null.
    Programmatic Pattern: (FiltrationTypeP | Automatic) | Null
    Index Matches to: experiment samples

    FilterInstrument

    The instrument that should be used to perform the filtration.
    Default Value: Automatic
    Default Calculation: Will automatically resolved to an instrument appropriate for the filtration type.
    Pattern Description: An object of type or subtype 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], or Object[Instrument, SyringePump] or Null.
    Programmatic Pattern: (ObjectP[{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]}] | Automatic) | Null
    Index Matches to: experiment samples

    Filter

    The filter that should be used to remove impurities from the SamplesIn prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Will automatically resolve to a filter appropriate for the filtration type and instrument.
    Pattern Description: An object of type or subtype Model[Container, Plate, Filter], Model[Container, Vessel, Filter], or Model[Item, Filter] or Null.
    Programmatic Pattern: (ObjectP[{Model[Container, Plate, Filter], Model[Container, Vessel, Filter], Model[Item, Filter]}] | Automatic) | Null
    Index Matches to: experiment samples

    FilterMaterial

    The membrane material of the filter that should be used to remove impurities from the SamplesIn prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Resolves to an appropriate filter material for the given sample is Filtration is set to True.
    Pattern Description: Cellulose, Cotton, Polyethylene, PTFE, Nylon, PES, PLUS, PVDF, GlassFiber, GHP, UHMWPE, EPDM, DuraporePVDF, GxF, ZebaDesaltingResin, NickelResin, Silica, or HLB or Null.
    Programmatic Pattern: (FilterMembraneMaterialP | Automatic) | Null
    Index Matches to: experiment samples

    PrefilterMaterial

    The material from which the prefilter filtration membrane should be made of to remove impurities from the SamplesIn prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: By default, no prefiltration is performed on samples, even when Filter->True.
    Pattern Description: Cellulose, Cotton, Polyethylene, PTFE, Nylon, PES, PLUS, PVDF, GlassFiber, GHP, UHMWPE, EPDM, DuraporePVDF, GxF, ZebaDesaltingResin, NickelResin, Silica, or HLB or Null.
    Programmatic Pattern: (FilterMembraneMaterialP | Automatic) | Null
    Index Matches to: experiment samples

    FilterPoreSize

    The pore size of the filter that should be used when removing impurities from the SamplesIn prior to starting the experiment.
    Default Value: Automatic
    Default Calculation: Resolves to an appropriate filter pore size for the given sample is Filtration is set to True.
    Pattern Description: 0.008 micrometers, 0.1 micrometers, 0.2 micrometers, 0.22 micrometers, 0.45 micrometers, 1. micrometer, 1.1 micrometers, 2.5 micrometers, 6. micrometers, 20. micrometers, 30. micrometers, or 100. micrometers or Null.
    Programmatic Pattern: (FilterSizeP | Automatic) | Null
    Index Matches to: experiment samples

    PrefilterPoreSize

    The pore size of the filter; all particles larger than this should be removed during the filtration.
    Default Value: Automatic
    Default Calculation: By default, no prefiltration is performed on samples, even when Filter->True.
    Pattern Description: 0.008 micrometers, 0.1 micrometers, 0.2 micrometers, 0.22 micrometers, 0.45 micrometers, 1. micrometer, 1.1 micrometers, 2.5 micrometers, 6. micrometers, 20. micrometers, 30. micrometers, or 100. micrometers or Null.
    Programmatic Pattern: (FilterSizeP | Automatic) | Null
    Index Matches to: experiment samples

    FilterSyringe

    The syringe used to force that sample through a filter.
    Default Value: Automatic
    Default Calculation: Resolves to an syringe appropriate to the volume of sample being filtered, if Filtration is set to True.
    Pattern Description: An object of type or subtype Model[Container, Syringe] or Object[Container, Syringe] or a prepared sample or Null.
    Programmatic Pattern: ((ObjectP[{Model[Container, Syringe], Object[Container, Syringe]}] | _String) | Automatic) | Null
    Index Matches to: experiment samples

    FilterHousing

    The filter housing that should be used to hold the filter membrane when filtration is performed using a standalone filter membrane.
    Default Value: Automatic
    Default Calculation: Resolve to an housing capable of holding the size of the membrane being used, if filter with Membrane FilterType is being used and Filtration is set to True.
    Pattern Description: An object of type or subtype Model[Instrument, FilterHousing], Object[Instrument, FilterHousing], Model[Instrument, FilterBlock], or Object[Instrument, FilterBlock] or Null.
    Programmatic Pattern: (ObjectP[{Model[Instrument, FilterHousing], Object[Instrument, FilterHousing], Model[Instrument, FilterBlock], Object[Instrument, FilterBlock]}] | Automatic) | Null
    Index Matches to: experiment samples

    FilterIntensity

    The rotational speed or force at which the samples will be centrifuged during filtration.
    Default Value: Automatic
    Default Calculation: Will automatically resolve to 2000 GravitationalAcceleration if FiltrationType is Centrifuge and Filtration is True.
    Pattern Description: Greater than 0 revolutions per minute or greater than 0 standard accelerations due to gravity on the surface of the earth or Null.
    Programmatic Pattern: ((GreaterP[0*RPM] | GreaterP[0*GravitationalAcceleration]) | Automatic) | Null
    Index Matches to: experiment samples

    FilterTime

    The amount of time for which the samples will be centrifuged during filtration.
    Default Value: Automatic
    Default Calculation: Will automatically resolve to 5 Minute if FiltrationType is Centrifuge and Filtration is True.
    Pattern Description: Greater than 0 minutes or Null.
    Programmatic Pattern: (GreaterP[0*Minute] | Automatic) | Null
    Index Matches to: experiment samples

    FilterTemperature

    The temperature at which the centrifuge chamber will be held while the samples are being centrifuged during filtration.
    Default Value: Automatic
    Default Calculation: Will automatically resolve to 22 Celsius if FiltrationType is Centrifuge and Filtration is True.
    Pattern Description: Greater than or equal to 4 degrees Celsius or Null.
    Programmatic Pattern: ((Alternatives[GreaterEqualP[4*Celsius]]) | Automatic) | Null
    Index Matches to: experiment samples

    FilterContainerOut

    The desired container filtered samples should be produced in or transferred into by the end of filtration, with indices indicating grouping of samples in the same plates, if desired.
    Default Value: Automatic
    Default Calculation: Automatically set as the PreferredContainer for the Volume of the sample. For plates, attempts to fill all wells of a single plate with the same model before using another one.
    Pattern Description: An object of type or subtype Model[Container] or Object[Container] or a prepared sample or {Index, Container} or Null.
    Programmatic Pattern: (((ObjectP[{Model[Container], Object[Container]}] | _String) | {GreaterEqualP[1, 1] | Automatic, (ObjectP[{Model[Container], Object[Container]}] | _String) | Automatic}) | Automatic) | Null
    Index Matches to: experiment samples

    FilterAliquotDestinationWell

    The desired position in the corresponding AliquotContainer in which the aliquot samples will be placed.
    Default Value: Automatic
    Default Calculation: Automatically resolves to A1 in containers with only one position. For plates, fills wells in the order provided by the function AllWells.
    Pattern Description: Any well from A1 to H12 or Null.
    Programmatic Pattern: (WellPositionP | Automatic) | Null
    Index Matches to: experiment samples

    FilterAliquotContainer

    The desired type of container that should be used to prepare and house the filter samples which should be used in lieu of the SamplesIn for the experiment.
    Default Value: Automatic
    Pattern Description: An object of type or subtype Model[Container] or {Index, Container} or Null.
    Programmatic Pattern: ((ObjectP[Model[Container]] | {GreaterEqualP[1, 1] | (Automatic | Null), (ObjectP[{Model[Container], Object[Container]}] | _String) | Automatic}) | Automatic) | Null
    Index Matches to: experiment samples

    FilterAliquot

    The amount of each sample that should be transferred from the SamplesIn into the FilterAliquotContainer when performing an aliquot before filtration.
    Default Value: Automatic
    Default Calculation: Automatically set as the smaller between the current sample volume and the maximum volume of the destination container.
    Pattern Description: All or greater than or equal to 1 microliter and less than or equal to 20 liters or Null.
    Programmatic Pattern: ((RangeP[1*Microliter, 20*Liter] | All) | Automatic) | Null
    Index Matches to: experiment samples

    FilterSterile

    Indicates if the filtration of the samples should be done in a sterile environment.
    Default Value: Automatic
    Default Calculation: Resolve to False if Filtration is indicated. If sterile filtration is desired, this option must manually be set to True.
    Pattern Description: True or False or Null.
    Programmatic Pattern: (BooleanP | Automatic) | Null
    Index Matches to: experiment samples

    Aliquoting

    Aliquot

    Indicates if aliquots should be taken from the SamplesIn and transferred into new AliquotSamples used in lieu of the SamplesIn for the experiment. Note that if NumberOfReplicates is specified this indicates that the input samples will also be aliquoted that number of times. Note that Aliquoting (if specified) occurs after any Sample Preparation (if specified).
    Default Value: Automatic
    Pattern Description: True or False.
    Programmatic Pattern: BooleanP | Automatic
    Index Matches to: experiment samples

    AliquotAmount

    The amount of a sample that should be transferred from the input samples into aliquots.
    Default Value: Automatic
    Default Calculation: Automatically set as the smaller between the current sample volume and the maximum volume of the destination container if a liquid, or the current Mass or Count if a solid or counted item, respectively.
    Pattern Description: All or Count or Count or Mass or Volume or Null.
    Programmatic Pattern: ((RangeP[1*Microliter, 20*Liter] | RangeP[1*Milligram, 20*Kilogram] | GreaterP[0*Unit, 1*Unit] | GreaterP[0., 1.] | All) | Automatic) | Null
    Index Matches to: experiment samples

    TargetConcentration

    The desired final concentration of analyte in the AliquotSamples after dilution of aliquots of SamplesIn with the ConcentratedBuffer and BufferDiluent which should be used in lieu of the SamplesIn for the experiment.
    Default Value: Automatic
    Default Calculation: Automatically calculated based on aliquot and buffer volumes.
    Pattern Description: Greater than 0 molar or greater than 0 grams per liter or Null.
    Programmatic Pattern: ((GreaterP[0*Molar] | GreaterP[0*(Gram/Liter)]) | Automatic) | Null
    Index Matches to: experiment samples

    TargetConcentrationAnalyte

    The substance whose final concentration is attained with the TargetConcentration option.
    Default Value: Automatic
    Default Calculation: Automatically set to the first value in the Analytes field of the input sample, or, if not populated, to the first analyte in the Composition field of the input sample, or if none exist, the first identity model of any kind in the Composition field.
    Pattern Description: An object of type or subtype Model[Molecule], Model[Molecule, cDNA], Model[Molecule, Oligomer], Model[Molecule, Transcript], Model[Molecule, Protein], Model[Molecule, Protein, Antibody], Model[Molecule, Carbohydrate], Model[Molecule, Polymer], Model[Resin], Model[Resin, SolidPhaseSupport], Model[Lysate], Model[ProprietaryFormulation], Model[Virus], Model[Cell], Model[Cell, Mammalian], Model[Cell, Bacteria], Model[Cell, Yeast], Model[Tissue], Model[Material], or Model[Species] or Null.
    Programmatic Pattern: (ObjectP[IdentityModelTypes] | Automatic) | Null
    Index Matches to: experiment samples

    AssayVolume

    The desired total volume of the aliquoted sample plus dilution buffer.
    Default Value: Automatic
    Default Calculation: Automatically determined based on Volume and TargetConcentration option values.
    Pattern Description: Greater than or equal to 1 microliter and less than or equal to 20 liters or Null.
    Programmatic Pattern: (RangeP[1*Microliter, 20*Liter] | Automatic) | Null
    Index Matches to: experiment samples

    ConcentratedBuffer

    The concentrated buffer which should be diluted by the BufferDilutionFactor in the final solution (i.e., the combination of the sample, ConcentratedBuffer, and BufferDiluent). The ConcentratedBuffer and BufferDiluent will be combined and then mixed with the sample, where the combined volume of these buffers is the difference between the AliquotAmount and the total AssayVolume.
    Default Value: Automatic
    Pattern Description: An object of type or subtype Model[Sample] or Object[Sample] or a prepared sample or Null.
    Programmatic Pattern: ((ObjectP[{Model[Sample], Object[Sample]}] | _String) | Automatic) | Null
    Index Matches to: experiment samples

    BufferDilutionFactor

    The dilution factor by which the concentrated buffer should be diluted in the final solution (i.e., the combination of the sample, ConcentratedBuffer, and BufferDiluent). The ConcentratedBuffer and BufferDiluent will be combined and then mixed with the sample, where the combined volume of these buffers is the difference between the AliquotAmount and the total AssayVolume.
    Default Value: Automatic
    Default Calculation: If ConcentratedBuffer is specified, automatically set to the ConcentratedBufferDilutionFactor of that sample; otherwise, set to Null.
    Pattern Description: Greater than or equal to 1 or Null.
    Programmatic Pattern: (GreaterEqualP[1] | Automatic) | Null
    Index Matches to: experiment samples

    BufferDiluent

    The buffer used to dilute the aliquot sample such that ConcentratedBuffer is diluted by BufferDilutionFactor in the final solution. The ConcentratedBuffer and BufferDiluent will be combined and then mixed with the sample, where the combined volume of these buffers is the difference between the AliquotAmount and the total AssayVolume.
    Default Value: Automatic
    Default Calculation: Automatically resolves to Model[Sample, "Milli-Q water"] if ConcentratedBuffer is specified; otherwise, resolves to Null.
    Pattern Description: An object of type or subtype Model[Sample] or Object[Sample] or a prepared sample or Null.
    Programmatic Pattern: ((ObjectP[{Model[Sample], Object[Sample]}] | _String) | Automatic) | Null
    Index Matches to: experiment samples

    AssayBuffer

    The buffer that should be added to any aliquots requiring dilution, where the volume of this buffer added is the difference between the AliquotAmount and the total AssayVolume.
    Default Value: Automatic
    Default Calculation: Automatically resolves to Model[Sample, "Milli-Q water"] if ConcentratedBuffer is not specified; otherwise, resolves to Null.
    Pattern Description: An object of type or subtype Model[Sample] or Object[Sample] or a prepared sample or Null.
    Programmatic Pattern: ((ObjectP[{Model[Sample], Object[Sample]}] | _String) | Automatic) | Null
    Index Matches to: experiment samples

    AliquotSampleStorageCondition

    The non-default conditions under which any aliquot samples generated by this experiment should be stored after the protocol is completed.
    Default Value: Automatic
    Pattern Description: {AmbientStorage, Refrigerator, Freezer, DeepFreezer, CryogenicStorage, YeastIncubation, YeastShakingIncubation, BacterialIncubation, BacterialShakingIncubation, MammalianIncubation, ViralIncubation, CrystalIncubation, AcceleratedTesting, IntermediateTesting, LongTermTesting, UVVisLightTesting} or Disposal or Null.
    Programmatic Pattern: ((SampleStorageTypeP | Disposal) | Automatic) | Null
    Index Matches to: experiment samples

    DestinationWell

    The desired position in the corresponding AliquotContainer in which the aliquot samples will be placed.
    Default Value: Automatic
    Default Calculation: Automatically resolves to A1 in containers with only one position. For plates, fills wells in the order provided by the function AllWells.
    Pattern Description: Any well from A1 to H12 or list of one or more any well from A1 to H12 or any well from A1 to H12 entries or Null.
    Programmatic Pattern: ((WellPositionP | {((Automatic | Null) | WellPositionP)..}) | Automatic) | Null

    AliquotContainer

    The desired type of container that should be used to prepare and house the aliquot samples, with indices indicating grouping of samples in the same plates, if desired. This option will resolve to be the length of the SamplesIn * NumberOfReplicates.
    Default Value: Automatic
    Default Calculation: Automatically set as the PreferredContainer for the AssayVolume of the sample. For plates, attempts to fill all wells of a single plate with the same model before aliquoting into the next.
    Pattern Description: An object of type or subtype Model[Container] or Object[Container] or a prepared sample or Automatic or Null or {Index, Container} or list of one or more an object of type or subtype Model[Container] or Object[Container] or a prepared sample or Automatic or Null entries or list of one or more Automatic or Null or {Index, Container} entries.
    Programmatic Pattern: (((ObjectP[{Model[Container], Object[Container]}] | _String) | (Automatic | Null) | {GreaterEqualP[1, 1] | (Automatic | Null), (ObjectP[{Model[Container], Object[Container]}] | _String) | (Automatic | Null)} | {((ObjectP[{Model[Container], Object[Container]}] | _String) | (Automatic | Null))..} | {({GreaterEqualP[1, 1] | (Automatic | Null), (ObjectP[{Model[Container], Object[Container]}] | _String) | (Automatic | Null)} | (Automatic | Null))..}) | Automatic) | Null

    AliquotPreparation

    Indicates the desired scale at which liquid handling used to generate aliquots will occur.
    Default Value: Automatic
    Default Calculation: Automatic resolution will occur based on manipulation volumes and container types.
    Pattern Description: Manual or Robotic or Null.
    Programmatic Pattern: (PreparationMethodP | Automatic) | Null

    ConsolidateAliquots

    Indicates if identical aliquots should be prepared in the same container/position.
    Default Value: Automatic
    Pattern Description: True or False or Null.
    Programmatic Pattern: (BooleanP | Automatic) | Null

Protocol Options

    Organizational Information

    Template

    A template protocol whose methodology should be reproduced in running this experiment. Option values will be inherited from the template protocol, but can be individually overridden by directly specifying values for those options to this Experiment function.
    Default Value: Null
    Pattern Description: An object of type or subtype Object[Protocol] or an object of type or subtype of Object[Protocol] with UnresolvedOptions, ResolvedOptions specified or Null.
    Programmatic Pattern: (ObjectP[Object[Protocol]] | FieldReferenceP[Object[Protocol], {UnresolvedOptions, ResolvedOptions}]) | Null

    Name

    A object name which should be used to refer to the output object in lieu of an automatically generated ID number.
    Default Value: Null
    Pattern Description: A string or Null.
    Programmatic Pattern: _String | Null

    Post Experiment

    MeasureWeight

    Indicates if any solid samples that are modified in the course of the experiment should have their weights measured and updated after running the experiment. Please note that public samples are weighed regardless of the value of this option.
    Default Value: Automatic
    Pattern Description: True or False or Null.
    Programmatic Pattern: (BooleanP | Automatic) | Null

    MeasureVolume

    Indicates if any liquid samples that are modified in the course of the experiment should have their volumes measured and updated after running the experiment. Please note that public samples are volume measured regardless of the value of this option.
    Default Value: Automatic
    Pattern Description: True or False or Null.
    Programmatic Pattern: (BooleanP | Automatic) | Null

    ImageSample

    Indicates if any samples that are modified in the course of the experiment should be freshly imaged after running the experiment. Please note that public samples are imaged regardless of the value of this option.
    Default Value: Automatic
    Pattern Description: True or False or Null.
    Programmatic Pattern: (BooleanP | Automatic) | Null

Example Calls

    Basics

    By default, ExperimentFlashChromatography separates sample mixtures by normal phase chromatography, measures their absorbance, and collects fractions corresponding to peaks in the absorbance data:

    Separation Mode and Buffers

    For normal phase separation, ExperimentFlashChromatography defaults to Hexanes for BufferA and Ethyl Acetate for BufferB:
    For reverse phase separation, ExperimentFlashChromatography defaults to Water for BufferA and Methanol for BufferB:
    Other solvent combinations can be specified:

    Loading Type and Amount

    With LoadingType->Liquid, the column is pre-equilibrated with BufferA and then the sample is loaded by syringe into the instrument's injection valve:
    With LoadingType->Preloaded, the sample is loaded by syringe directly into the column and no column pre-equilibration step occurs:
    With LoadingType->Solid, the column is equilibrated with BufferA and then the sample is loaded into a sample load cartridge packed with solid media upstream of the column:
    All of the sample or a specified amount can be loaded (1 Milliliter is loaded by default):

    Column

    A variety of sizes and types of columns are available:
    Columns should be used with other columns of the same SeparationMode:

    Cartridge

    If LoadingType is Solid, the sample will be loaded into a cartridge packed with solid media which can be specified:
    Empty cartridges (with PackingType->HandPacked) can be filled with media of a specified material, functional group, and mass:

    Gradient

    GradientA can be specified to an isocratic separation at 40% BufferA for 10 minutes:
    GradientB can be specified to a 5 minute equilibration at 0% Buffer B, then a linear ramp from 0% to 90% over 20 minutes, then a 10 minute flush at 90%:
    Gradient shortcut options can be used to specify the BufferB gradient above:

    Absorbance Measurements

    Each sample's absorbance as it is separated can be measured at up to three sets of wavelengths:
    PrimaryWavelength and SecondaryWavelength measure the sample's absorbance at a specified wavelength +/- 5 nm while WideRangeUV measures the sample's average absorbance across a specified range of wavelengths:

    Fraction Collection

    Fractions are collected by default, but fraction collection can be turned off:
    Fractions can be collected in just a specified a window of time from the start of the gradient:
    All liquid from the column can be collected as fractions or just the liquid corresponding to peaks in the measured absorbance:

    Peak Detection

    A subset of the types of absorbance measurements being collected can be used to call absorbance peaks for fraction collection:
    The method by which a type of absorbance measurement collects peaks can be based on absorbance threshold or slope or both. A peak is called if a peak is identified by any of the PeakDetectionMethods used by any of the PeakDetectors:
    All liquid from the column can be collected as fractions or just the liquid corresponding to peaks in the measured absorbance:

    Preparatory Unit Operations

    Preparatory Unit Operations can be used to dissolve a solid sample prior to separating it by flash chromatography:

    FlashChromatography Unit Operation

    FlashChromatography can be used as part of an ExperimentSamplePreparation call with any of the options available to ExperimentFlashChromatography:

Preferred Input Containers

    Liquid samples are taken up by syringe to be loaded on the instrument, so any initial input container is acceptable.

Data Processing

    The data can be viewed along with any existing peak selection:
    Peaks can be selected from the chromatography:
    Collected fraction samples can be parsed and visualized on the chromatogram:

Warnings and Errors

    Messages  (102)

    AirPurgeAndStoreColumn  (1)

    If a column is set to be stored by ColumnStorageCondition, but AirPurgeDuration is greater than 0 Minute, throw a warning:

    DeprecatedColumn  (1)

    If the Model of the specified column is Deprecated->True, then throw an error and return $Failed:

    DiscardedSamples  (1)

    Throw an error and return $Failed if the input sample is discarded:

    DuplicateName  (1)

    Throw an error and return $Failed if the specified Name is already in use for another Flash Chromatography protocol:

    IncompatibleCartridgeLoadingType  (1)

    If Cartridge is specified but LoadingType is not Solid, then throw an error and return $Failed:

    IncompatibleCartridgePackingType  (1)

    If a cartridge whose Model's PackingType is not Prepacked or HandPacked is specified, then throw an error and return $Failed:

    IncompatibleCartridgeType  (1)

    If a cartridge whose Model is not ChromatographyType->Flash is specified, then throw an error and return $Failed:

    IncompatibleColumnType  (1)

    If the Model of the specified column does not have ChromatographyType->Flash, then throw an error and return $Failed:

    IncompatibleFlowRateFlashChromatography  (2)

    If FlowRate is specified outside of the intersection of the MinFlowRate to MaxFlowRate intervals of the instrument and column, throw and error and return $Failed:

    If FlowRate is specified outside of the intersection of the MinFlowRate to MaxFlowRate intervals of the instrument, column and cartridge, throw and error and return $Failed:

    IncompatibleFlowRates  (3)

    If the Model of the specified cartridge does not have a MinFlowRate to MaxFlowRate range that overlaps with the instrument's, then throw an error and return $Failed:

    If the Model of the specified cartridge does not have a MinFlowRate to MaxFlowRate range that overlaps with the resolved column's, then throw an error and return $Failed:

    If the Model of the specified column does not have a MinFlowRate to MaxFlowRate range that overlaps with the instrument's, then throw an error and return $Failed:

    IncompatibleInjectionAssemblyLength  (1)

    If the total length of the injection assembly is longer than the instrument's MaxInjectionAssemblyLength, then throw an error and return $Failed:

    IncompatiblePreSampleEquilibration  (1)

    If PreSampleEquilibration is specified and LoadingType is Preloaded, throw an error and return $Failed:

    IncompleteBufferSpecification  (1)

    If only one of BufferA and BufferB are specified, then throw an error message and return $Failed:

    IncompleteGradientShortcut  (1)

    If any shortcut gradient options are specified, but all of GradientStart, GradientEnd, and GradientDuration are not specified, throw an error and return $Failed:

    InstrumentPrecision  (1)

    If an option is specified at a higher precision than allowed, then throw a warning and round the option:

    InsufficientSampleVolumeFlashChromatography  (2)

    If the specified LoadingAmount is larger than the sample volume, then throw an error and return $Failed:

    If the specified LoadingAmount is larger than the volume of the aliquoted sample, then throw an error and return $Failed:

    InvalidAirPurgeDuration  (1)

    If a column is set to be Disposed by ColumnStorageCondition, but AirPurgeDuration is 0 Minute, throw an error and return $Failed:

    InvalidCartridgeFunctionalGroup  (1)

    If Cartridge is specified to a cartridge with Prepacked LoadingType and CartridgeFunctionalGroup is specified, throw an error and return $Failed:

    InvalidCartridgeMaxBedWeight  (1)

    If the specified cartridge is ChromatographyType Flash, but has a MaxBedWeight which is not 5, 25, or 65g, throw an error and return $Failed:

    InvalidCartridgePackingMass  (1)

    If Cartridge is specified to a cartridge with Prepacked LoadingType and CartridgePackingMass is specified, throw an error and return $Failed:

    InvalidCartridgePackingMaterial  (2)

    If Cartridge is specified to a cartridge with Prepacked LoadingType and CartridgePackingMaterial is specified, throw an error and return $Failed:

    If Cartridge is unspecified and CartridgePackingMaterial is specified, throw an error and return $Failed:

    InvalidCollectFractions  (2)

    If CollectFractions is False and a fraction collection-related option is specified, throw an error and return $Failed:

    If CollectFractions is False and all fraction collection-related options are specified, throw an error and return $Failed:

    InvalidColumnStorageCondition  (1)

    If the ColumnStorageCondition of a column that is specified to be used again is set to Disposal, throw an error and return $Failed:

    InvalidFlashChromatographyPreparation  (1)

    If Preparation is specified to Robotic, throw an error and return $Failed:

    InvalidFractionCollectionEndTimeFlash  (2)

    If FractionCollectionEndTime is specified to a value greater than the total length of time of the resolved GradientB, throw an error and return $Failed:

    If FractionCollectionEndTime is specified to a value less than or equal to FractionCollectionStartTime, throw an error and return $Failed:

    InvalidFractionCollectionOptions  (2)

    If CollectFractions is True and a fraction collection-related option is Null, throw an error and return $Failed:

    If CollectFractions is unspecified and a fraction collection-related option is Null, throw an error and return $Failed:

    InvalidFractionCollectionStartTimeFlash  (1)

    If FractionCollectionStartTime is specified to a value greater than the total length of time of the resolved GradientB, throw an error and return $Failed:

    InvalidFractionContainer  (1)

    If FractionContainer is specified to a container that is not on the allowed list of fraction collection containers, throw an error and return $Failed:

    InvalidGradientTime  (3)

    If a specified gradient's times are not monotonically increasing, throw an error and return $Failed:

    If a specified gradient's times do not end at greater than 0 minutes, throw an error and return $Failed:

    If a specified gradient's times do not start at 0 minutes, throw an error and return $Failed:

    InvalidLabel  (8)

    If identical cartridge labels refer to different cartridges, throw an error and return $Failed:

    If identical cartridge Objects are referred to by different cartridge labels, throw an error and return $Failed:

    If identical column labels refer to different columns, throw an error and return $Failed:

    If identical column Objects are referred to by different column labels, throw an error and return $Failed:

    If identical ContainersIn are referred to by different sample container labels, throw an error and return $Failed:

    If identical sample container labels refer to different ContainersIn, throw an error and return $Failed:

    If identical sample labels refer to different SamplesIn, throw an error and return $Failed:

    If identical SamplesIn are referred to by different sample labels, throw an error and return $Failed:

    InvalidLoadingAmount  (1)

    If LoadingAmount is specified, Column is unspecified, and none of the default columns is large enough that MaxLoadingPercent times the column's VoidVolume is greater than or equal to the LoadingAmount, then throw an error and return $Failed:

    InvalidLoadingAmountForColumn  (1)

    If LoadingAmount and Column are specified, and the column is not large enough that MaxLoadingPercent times the column's VoidVolume is greater than or equal to the LoadingAmount, then throw an error and return $Failed:

    InvalidLoadingAmountForInstrument  (1)

    If the resolved LoadingAmount is outside the sample loading volume range of the resolved Instrument, then throw an error and return $Failed:

    InvalidLoadingAmountForSyringes  (1)

    If the resolved LoadingAmount is outside the volume range of the instrument-compatible syringes, then throw an error and return $Failed:

    InvalidMaxFractionVolume  (1)

    If the specified MaxFractionVolume is too large for the largest allowed fraction collection container, throw an error and return $Failed:

    InvalidMaxFractionVolumeForContainer  (1)

    If the specified MaxFractionVolume is too large for the specified FractionContainer, throw an error and return $Failed:

    InvalidNullCartridgeLabel  (1)

    If there is a resolved Cartridge, and CartridgeLabel is set to Null, throw an error and return $Failed:

    InvalidNullDetectors  (2)

    If a detector option (PrimaryWavelength, SecondaryWavelength, or WideRangeUV) is Null but is included in the Detectors option, throw an error and return $Failed:

    If a detector option (PrimaryWavelength, SecondaryWavelength, or WideRangeUV) is Null but is included in the Detectors option, throw an error and return $Failed:

    InvalidNullPeakDetectionMethod  (3)

    If PrimaryWavelengthPeakDetectionMethod is set to Null, but PrimaryWavelength is in PeakDetectors, throw an error and return $Failed:

    If SecondaryWavelengthPeakDetectionMethod is set to Null, but SecondaryWavelength is in PeakDetectors, throw an error and return $Failed:

    If WideRangeUVPeakDetectionMethod is set to Null, but WideRangeUV is in PeakDetectors, throw an error and return $Failed:

    InvalidNullPeakDetectionParameters  (4)

    If PrimaryWavelengthPeakWidth and PrimaryWavelengthPeakThreshold are both set to Null, but PrimaryWavelength is in PeakDetectors, throw an error and return $Failed:

    If SecondaryWavelengthPeakWidth and SecondaryWavelengthPeakThreshold are both set to Null, but SecondaryWavelength is in PeakDetectors, throw an error and return $Failed:

    If WideRangeUVPeakWidth and WideRangeUVPeakThreshold are both set to Null, but PeakDetectors is Automatic, don't throw an error because WideRangeUV isn't in PeakDetectors automatically:

    If WideRangeUVPeakWidth and WideRangeUVPeakThreshold are both set to Null, but WideRangeUV is in PeakDetectors, throw an error and return $Failed:

    InvalidPackingMassForCartridgeCaps  (1)

    If the CartridgePackingMass is below the range of bed weight values compatible with instrument-compatible cartridge caps, throw an error and return $Failed:

    InvalidPeakThreshold  (3)

    If PrimaryWavelengthPeakThreshold is specified, but PrimaryWavelengthPeakDetectionMethod doesn't include Threshold, throw an error and return $Failed:

    If SecondaryWavelengthPeakThreshold is specified, but SecondaryWavelengthPeakDetectionMethod doesn't include Threshold, throw an error and return $Failed:

    If WideRangeUVPeakThreshold is specified, but WideRangeUVPeakDetectionMethod doesn't include Threshold, throw an error and return $Failed:

    InvalidPeakWidth  (3)

    If PrimaryWavelengthPeakWidth is specified, but PrimaryWavelengthPeakDetectionMethod doesn't include Slope, throw an error and return $Failed:

    If SecondaryWavelengthPeakWidth is specified, but SecondaryWavelengthPeakDetectionMethod doesn't include Slope, throw an error and return $Failed:

    If WideRangeUVPeakWidth is specified, but WideRangeUVPeakDetectionMethod doesn't include Slope, throw an error and return $Failed:

    InvalidSpecifiedCartridgeLabel  (1)

    If Cartridge resolves to Null, and CartridgeLabel is set to a String, throw an error and return $Failed:

    InvalidSpecifiedDetectors  (1)

    If a detector option (PrimaryWavelength, SecondaryWavelength, or WideRangeUV) is specified but is not included in the Detectors option, throw an error and return $Failed:

    InvalidSpecifiedPeakDetection  (3)

    If PrimaryWavelength peak detection-related options are specified, but PrimaryWavelength is not in PeakDetectors, throw an error and return $Failed:

    If SecondaryWavelengthPeakWidth is specified, but SecondaryWavelength is not in PeakDetectors, throw errors and return $Failed:

    If WideRangeUV peak detection-related options are specified, but WideRangeUV is not in PeakDetectors (because it is not in Detectors), throw an error and return $Failed:

    InvalidTotalBufferVolume  (2)

    If more than 4 liters of BufferA would be used by the gradient, throw an error and return $Failed:

    If more than 4 liters of BufferB would be used by the gradient, throw an error and return $Failed:

    InvalidTotalFractionVolume  (2)

    If FractionCollectionMode is All and the number of required fraction collection tubes is greater than that which can be held in two fraction collection containers, throw an error and return $Failed:

    If FractionCollectionMode is Peaks and the max number of required fraction collection tubes is greater than that which can be held in two fraction collection containers, throw a warning:

    InvalidTotalGradientTime  (1)

    If the total length of time of the resolved gradient is greater than the maximum flash chromatography gradient time, throw an error and return $Failed:

    InvalidWideRangeUV  (1)

    If WideRangeUV is specified such that the first element of the Span is greater than the second element, throw an error and return $Failed:

    MethanolPercent  (1)

    If BufferB is methanol, the column is silica-based, and the max percentage of BufferB in the gradient is greater than 50%, then throw a warning:

    MismatchedCartridgeOptions  (1)

    If some cartridge-related options are specified and others are Null, throw an error and return $Failed:

    MismatchedColumnAndCartridge  (2)

    If there is a resolved Cartridge and the resolved CartridgePackingMaterial and CartridgeFunctionalGroup options don't match the PackingMaterial and FunctionalGroup fields of the column, then throw a warning:

    If the SeparationMode, PackingMaterial, and FunctionalGroup fields of the column and the cartridge do not match, then throw a warning:

    MismatchedFractionCollectionOptions  (1)

    If any fraction collection-related option is specified and any other is Null, throw an error and return $Failed:

    MismatchedLiquidLoadSpecifiedCartridgeOptions  (1)

    If LoadingType is specified to Liquid but any cartridge-related options are specified, throw an error and return $Failed:

    MismatchedSeparationModes  (1)

    If the specified SeparationMode option does not match SeparationMode field of the Model of the specified column, then throw a warning:

    MismatchedSolidLoadNullCartridgeOptions  (1)

    If LoadingType is specified to Solid but any cartridge-related options are Null, throw an error and return $Failed:

    MissingPeakDetectors  (1)

    If detectors are included in PeakDetectors that are not present in Detectors, throw an error and return $Failed:

    MissingSampleVolumes  (1)

    Throw an error and return $Failed if the input sample's volume is Null:

    MixedSeparationModes  (2)

    If columns with a mix of SeparationModes are specified and SeparationMode is specified, then throw warnings:

    If columns with a mix of SeparationModes are specified, then throw a warning and resolve the SeparationMode Option to NormalPhase:

    NonLiquidSamples  (1)

    Throw an error and return $Failed if the input sample is not a liquid:

    RecommendedMaxLoadingPercentExceeded  (1)

    If MaxLoadingPercent is specified to higher than the recommended value for the resolved LoadingType, then throw a Warning:

    RedundantGradientShortcut  (1)

    If any shortcut gradient options and a non-shortcut gradient option are both specified and they don't match one another, throw an error and return $Failed:

    RedundantGradientSpecification  (2)

    If more than one of Gradient, GradientA, and GradientB is specified and they don't match one another, throw an error and return $Failed:

    If more than one of Gradient, GradientA, and GradientB is specified and they have the same number of timepoints, but they don't match one another, throw an error and return $Failed:

    TooHighCartridgePackingMass  (1)

    If CartridgePackingMass is specified to a value higher than the MaxBedWeight of the Cartridge, throw an error and return $Failed:

    TooLowCartridgePackingMass  (2)

    If a very small cartridge and a very large column are specified, and the CartridgePackingMass and LoadingAmount resolve such that CartridgePackingMass is less than LoadingAmount times 2 Gram/Milliliter, throw an error and return $Failed:

    If CartridgePackingMass is specified to a value lower than LoadingAmount times 2 Gram/Milliter, throw an error and return $Failed:

    ZeroGradientShortcut  (1)

    If a gradient shortcut with a total length of 0 minutes is specified, throw an error and return $Failed:

Possible Issues

    Filter sample and buffer

    Samples should not have particulates; otherwise, the system can over-pressurize. Consider filtering any samples or buffers used for the flash chromatography experiment.

    Column flush

    If the column is being stored, it will end up being stored in whatever the final gradient solvent conditions are so that should be considered for column protection.
Last modified on Mon 5 Feb 2024 16:42:42


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