Procedure instructions


Introduction

This section contains lists of procedure instructions with descriptions. These instructions are used in the Procedure Editor. Choose Procedures:Edit:New in the Evaluation module to view the Instruction list.


Curve operation

The table below contains a list of instructions for curve operations.

Instruction

Description

ADD

Adds two curves to produce a third curve, which is the sum of the two curves. The two source curves must have the same Y-axis unit and not be fraction or injection curves, or else a run time error will occur.

AMP_MUL

Multiplies the amplitude of the source curve by the multiplication factor and stores the result in the target curve position.

AMP_SHIFT

Shifts the amplitude of the source curve by the shift factor and stores the result in the target curve position.

CLEAR

Clears the specified curve from the working memory of the computer.

COPY

Copies the source curve to the target curve position.

CUT

Cuts out the part of the source curve between the Left and Right limits and stores the result in the target curve position.

DERIVATE

Differentiates the source curve (first or second order) and stores the result in the target curve position. The Y-axis of the target curve position will be a normalized scale without unit.

DIV

Divides two curves to produce a third curve, which is the quotient of the two curves. The two source curves can have any Y-axis unit. The Y-axis of the target curve position will be a normalized scale without unit.

HISTOGRAM

Creates a histogram from any non-fraction curve (source curve 1) and a fraction curve (source curve 2_frac), and stores the result in the target curve position. If source curve 2 is not a fraction curve a run time error will occur. The Y-axis of the target curve position will be the same as that of the first source curve.

INTEGRATE

Performs a mathematical integration of the source curve and stores the result in a Result curve. This instruction is not the same as Peak integrate, which performs a real peak integration.

POOL_FRACTIONS

Pools fractions from the source curve and stores the result in the target curve position. The fractions are pooled from the first selected fraction to the last selected fraction. If the source curve is not a fraction curve, or First or Last is not an existing identification, a run time error will occur.

RET_MUL

Multiplies the retention of the source curve by the Multiplication factor and stores the result in the target curve position.

RET_SHIFT

Shifts the retention of the source curve by the Shift factor and stores the result in the target curve position.

SIMULATE_PEAK_FRAC

Simulates Peak Fractionation.

SMOOTH_AR

Smooths the source curve with an autoregressive filter and stores the result in the target curve position. The Filter parameter decides the strength of the filter.

SMOOTH_MA

Smooths the source curve with a moving average filter and stores the result in the Resulting Curve. The Filter width parameter decides how many samples wide the filter is.

SMOOTH_MEDIAN

Smooths the source curve with a median filter and stores the result in target curve position. The Filter width parameter decides how many samples wide the filter is.

SMOOTH_SG

Smooths the curve with the Savitzky-Golay algorithm.

SUB

Subtracts two curves to produce a third curve, which is the difference of the two curves. The two source curves must have the same Y-axis unit and not be fraction or injection curves.

TDIV

Divides two curves to produce a third curve, which is the quotient of the two curves. The two source curves can have any Y-axis unit. The threshold values are used to avoid division of numbers close to zero. At those points where source curve 1 has an amplitude less than Threshold1, or the source curve 2 has an amplitude less than Threshold2, the result of the division is defined to be 1.0.


Integration

The table below contains a list of instructions for integration.

Instruction

Description

CALCULATE_BASELINE

Calculates a baseline from the source curve. The baseline is stored in the target curve position. DEFAULT can be selected in the Baseline parameters, which will then calculate default baseline parameters for each new curve.

CALCULATE_BASELINE_MORPH

Calculates a baseline from the curve crvSrc using a morphological method. DEFAULT can be selected in the Baseline parameters, which will then calculate default baseline parameters for each new curve. The baseline is stored in curve crvDst.

CLEAR_PEAKTABLE

Clears the peak table in Peak table source from the computer memory.

COPY_PEAKTABLE

Copies a peak table from Peak table source to Resulting peak table.

NEGATIVE_PEAKS

Controls the baseline behavior in subsequent baseline calculations. If ONOFF is ON then the baseline can be drawn above the curve and negative peaks can be detected by PEAK_INTEGRATE. If ONOFF is OFF then the baseline is never drawn above the curve.

PEAK_INTEGRATE

Performs a peak integration on the source curve and stores the resulting peak table in Resulting peak table. It is assumed that the baseline is subtracted.

PEAK_WINDOW

Specifies which part of the source curve that will be integrated. Peaks between retention Left limit and Right limit will be detected if the ONOFF parameter is set to ON. If ONOFF is set to OFF, the whole curve will be used for integration.

REJECT_PEAKS

Any combination of conditions is allowed. If all parameters are OFF then every detected peak is included in the peak table.

SET_COLUMN_HEIGHT

Sets the column height for the peak integration calculation of the HETP value. The Column height parameter is the height of the column in centimetres. If Column height is OFF then the HETP value is not calculated for the following integrations.

SET_COLUMN_V0

Sets void volume for Kav peak integration calculation.

SET_COLUMN_VT

Sets the total liquid volume for peak integration calculation of the capacity factor.

SET_SKIM_SIZE_ RATIO

Sets the Skim size ratio to be used in the following peak integration(s).

WINDOW_PEAK_INTEGRATE

Integrates the curve within the peak window. All curve parts outside the peak window remain unchanged.


File operation

The table below contains a list of instructions for file operations.

Instruction

Description

CURVE_OPEN

Opens the curve specified in the Result file defined in File name and stores it in target curve position. If "*" is entered as File name the current result file will be used. The File name parameter may include a path from the users root folder.

IMPORT_CURVE

Imports a curve to the current chromatogram from another chromatogram (in the current file) and stores it in the target curve position.

IMPORT_PEAKTABLE

Imports a peak table to the current chromatogram from another chromatogram (in the current file) and stores it in the target curve position.

PEAKTABLE_OPEN

Opens the specified Peak table in the Result file defined in File name and stores it in the Resulting peak table. If "*" is entered as File name the current Result file will be used. The File name parameter may include a path from the current users root folder.


Export

The table below contains a list of instructions for export operations.

Instruction

Description

EXPORT_CURVE_AIA

Exports the curve in AIA format.

EXPORT_CURVE_ASCII

Exports the Source curve to the file defined in Export to File in ASCII format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. In the part of the source curve limited by the Left limit and Right limit every <n> sample is exported.

EXPORT_CURVE_WKS

Exports the source curve to the file defined in Export to File in WKS format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. In the part of the source curve limited by Left limit and Right limit every <n> sample is exported

EXPORT_EVAL_LOG_ASCII

Exports an evaluation log in ASCII format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_EVAL_LOG_WKS

Exports an evaluation log in WKS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_EVAL_LOG_XLS

Exports an evaluation log in XLS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_METHOD_ASCII

Exports a method to the file defined in Export to file in ASCII format. If "*" is entered as File name the current Result file will be used. If all parameters are OFF then no method is exported. If Main is ON then the main method is included and if Blocks is ON then all blocks are included in the exported file.

EXPORT_METHOD_WKS

Exports a method to the file defined in Export to file in WKS format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters are OFF then no method is exported. If Main is ON then the main method is included and if Blocks is ON then all blocks are included in the exported file.

EXPORT_METHOD_XLS

Exports a method to the file defined in Export to file in XLS format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters are OFF then no method is exported. If Main is ON then the main method is included and if Blocks is ON then all blocks are included in the exported file.

EXPORT_MULTI_CURVES_ASCII

Exports multiple curves (previously defined with EXPORT_SEL_CURVES instructions) in ASCII format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_MULTI_CURVES_WKS

Exports multiple curves (previously defined with EXPORT_SEL_ CURVES instructions) in WKS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_MULTI_CURVES_XLS

Exports multiple curves (previously defined with EXPORT_SEL_ CURVES instructions) in XLS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_NORMALISE_ RETENTION

Normalizes retention when exporting multiple curves.

EXPORT_PEAKTABLE_ASCII

Exports the peak table in Peak table source to the file defined in Export to file in ASCII format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_PEAKTABLE_WKS

Exports the peak table in Peak table source to the file defined in Export to file in WKS format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_PEAKTABLE_XLS

Exports the peak table in Peak table source to the file defined in Export to file in XLS format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_PEAKTABLE_XML

Exports the peak table in Peak table source to the file defined in Export to file in XML format. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question.

EXPORT_SEL_CURVES

Selects a curve for subsequent export (using the EXPORT_MULTI-CURVES_* instruction). The curve is cut according to the right and left cut limit and the number of points to be exported may be set by the Export parameter (for example, every fifth point).

EXPORT_DOC_400_ASCII

Exports the documentation in the current result file in ASCII format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters to this function are OFF then no documentation is exported. If at least one of them is ON then the documentation will be exported and the corresponding parts will be included in the exported file.

EXPORT_DOC_400_WKS

Exports the documentation in the current result file in WKS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters to this function are OFF then no documentation is exported. If at least one of them is ON then the documentation will be exported and the corresponding parts will be included in the exported file.

EXPORT_DOC_400_XLS

Exports the documentation in the current result file in MS Excel XLS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters to this function are OFF then no documentation is exported. If at least one of them is ON then the documentation will be exported and the corresponding parts will be included in the exported file.

EXPORT_DOC_WKS

Exports the documentation in the current result file in WKS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters to this function are OFF then no documentation is exported. If at least one of them is ON then the documentation will be exported and the corresponding parts will be included in the exported file.

EXPORT_DOC_XLS

Exports the documentation in the current result file in XLS format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters to this function are OFF then no documentation is exported. If at least one of them is ON then the documentation will be exported and the corresponding parts will be included in the exported file

EXPORT_DOC_ASCII

Exports the documentation in the current result file in ASCII format to the file defined in Export to file. If "*" is entered as File name the current Result file will be used. If "?" is entered followed by text, e.g. "Enter a file name", as File name, a full search path must be entered in answer to the question. If all parameters to this function are OFF then no documentation is exported. If at least one of them is ON then the documentation will be exported and the corresponding parts will be included in the exported file.


Chromatogram functions

The table below contains a list of instructions for chromatogram functions.

Instruction

Description

COPY_CHROM

Creates a copy of the specified chromatogram. If "*" is used as source then the current (default) chromatogram is used. If "*" is used as destination then a default name will be created for the copy.

CREATE_NEW_CHROM

Creates a new chromatogram with the given name. If "*" is used for the chromatogram name a default name will be generated and used.

Note: It is a recommendation not to use only numbers as names for new chromatograms.

DELETE_CHROM

Deletes the named chromatogram. If trying to delete the current (default) chromatogram a run time error will be caused.

OPEN_CHROM

Opens the specified chromatogram from the specified file.

RENAME_CHROM

Renames the specified chromatogram. If "*" is used as From then the current (default) chromatogram is used.

RESTORE_DESTINATION_ CHROM

Resets the destination for the subsequent curve and peak table operations to the default chromatogram. Used in pair with the SET_DESTINATION_CHROM instruction.

SET_DESTINATION_CHROM

Opens the named chromatogram as destination for the subsequent curve and peak operations. Used in pair with the RESTORE_ DESTINATION_CHROM instruction.


Other instructions

The table below contains a list of instructions for other operations.

Instruction

Description

BASE

Sets the X-axis base that the following calculations will be made in. If the value of the X-axis base is DEFAULT, then the default base is used (usually the base the method was run in). This instruction should be the first in the evaluation procedure, otherwise it will have no effect at all.

Comment

Inserts a comment below the marked instruction.

ENDLOOP

Marks the end of a LOOP statement.

LOOP

The instructions between this statement and the ENDLOOP statement are repeated n times. It is possible to have loops within loops as long as the number of LOOP statements matches the number of ENDLOOP statements.

MOLSIZE

Calculates the molecular sizes from a molecular size curve.

A Mol. size column will be added to the Peak table.

QC_TEST

Performs a QC test.

QUANTITATE

Calculates the concentration and amounts in the sample from a quantitation table.

Amount and Concentration columns will be added to the Peak table.

REPORT

Prints a report with the specified named report layout and title. If Title is "*" then the title in the report layout is used. If Report Layout is "*" then a default layout is used.

RUN_PROGRAM

Starts a program as a separate process. The Program name string contains the program name and parameters to start it with.

UPDATE

Updates a Quantitation table with new data from one standard concentration level.

The default Limit(+/-) value of 12.5% will be used.


Test instructions

The Instruction field also contains a group of test instructions. These instructions are only available for the UNICORN software development team.

Instruction

Description

AUTOSAMPLER_PEAK_INTERVALS

Sets the area intervals for the AUTOSAMPLER_PEAK_TEST.

AUTOSAMPLER_PEAK_TEST

Locates the first peak in the peak table. Compares the area of the peak in the peak table with the specified maximum and minimum areas.

EXPORT_TEST_RESULT_TO_FILE

Finishes the current result and saves the output file as an ASCII file in a destination and with a file name specified in the variable DestFilename (.txt). A complete search path may be incluede in the file name.

GRADIENT_TEST_INTERVALS

Sets the level intervals for the GRADIENT_TEST.

GRADIENT_TEST

The theoretical straight line between the 0% and 100% levels are calculated. The deviation between the curve and the ideal straight line is compared in both directions from the center position (50%) until the deviation exceeds the defined maximum deviation. The calculated deviation points are checked against the defined limits.

STEP_RESPONSE_INTERVALS

Sets the level intervals for the STEP_RESPONSE_TEST.

STEP_RESPONSE_TEST

The relative amplitude is calculated at the specified retentions (The 0% and 100% amplitudes are used for reference). The calculated relative amplitudes are checked against the specified error margins. The 0% level amplitude is verified to be within the specified interval from the absolute 0 level.

TEST_CURVE_AMPLITUDE_CHANGE

Verifies that the curve amplitude has changed more than or equal to the value of the Delta parameter between the defined to and from retention points. A print parameter may be set to On to generate printed results.

TEST_CURVE_AMPLITUDE_STABLE

Verifies that the curve amplitude is stable between the defined to and from retention points. The actual curve value is compared to a set amplitude parameter. If the difference exceeds a set Delta value, the test is failed. A print parameter may be set to On to generate printed results.

TEST_INFO

Adds selected information items to the output file, e.g. system name, UNICORN version etc. Also, a specified free text can be added. A print parameter may be set to On to generate printed results.

TEST_LOGBOOK_EVENT

Verifies if a specified text is present in the logbook curve between the defined to and from retention points. The test can be defined to be passed either if the text is present or not. A failed or passed text will be added to the output file. A print parameter may be set to On to generate printed results.

UV_RESPONSE_INTERVALS

Sets the level intervals for the UV_RESPONSE_TEST.

UV_RESPONSE_TEST

The amplitudes for the 0% and 100% levels are calculated and the difference between the values are calculated. The results of (1) Curve2_Difference / Curve1_Difference and (2) Curve2_Difference / Curve3_Difference are calculated. The calculated points are checked if they are outside the defined limits from the 50% level.


2005-06-15