SCIEX OS software pre-assembled calculation packages

Save time getting to the results that matter with SCIEX OS software pre-assembled calculation packages

SCIEX provides pre-assembled calculation packages ('canned calculations') for use with processing methods created in SCIEX OS software for several common application workflows. These calculation packages can be used with SCIEX OS software version 2.2 and higher (depending on the available features) and contain the custom calculations and flagging rules needed to process data for a commonly used application. Please note that while the custom calculation packages provide a plug-and play approach, the resulting custom columns in the results table require validation and interpretation after applying the calculations to a customized results table/quantitation method. Apply your experience and judgment interpreting method guidelines, when identifying the samples used for the calculations, when presenting the results and when linking different calculations.

Learn more about implementing pre-assembled calculations into your workflow by viewing these informational videos:

ICH M10 regulations >

SANTE 11312-2021 and 12830-2020 regulations >

Requests to obtain the canned calculation packages can be made by opening a case with SCIEX Now and referencing the title of the package of interest.

Title

Description

More information
ICH Guideline M10

3.2.1 selectivity

Sample sets processed using the ICH M10 guidance must be evaluated to ensure that no significant response attributable to interfering components is observed at the retention time(s) of the analyte or the IS in the blank samples. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating whether a sample should be flagged.

Details >
3.2.2 specificitySample sets processed using the ICH M10 guidance must be evaluated to ensure, that no significant response attributable to interfering components compared to the analyte or IS response in the blank and double blank samples, respectively, is observed. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating if a sample should be flagged.Details >

3.2.3 matrix effect

Sample sets processed using the ICH M10 guidance must be evaluated to ensure, that the matrix effect does not exceed a given limit. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating if the matrix effect limit has been reached or not. 

Details >

3.2.4/3.3.2 calibration standard accuracy

Sample sets processed using the ICH M10 guidance must be evaluated to ensure that the back-calculated concentrations of the calibration standards are within ±15% of the nominal value, except for the LLOQ for which it should be within ±20% and that at least 75% of the calibration standard concentrations, which should include a minimum of six concentration levels, should fulfill these criteria. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating whether a sample should be flagged.

Details >

3.2.6 carry over

Sample sets processed using the ICH M10 guidance must be evaluated to ensure that the carry-over does not exceed a given limit. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating whether or not the carry-over limit has been reached.

Details >

3.3.2 quality control check

Sample sets processed using the ICH M10 guidance must be evaluated to ensure that the revised calibration range covers at least 3 QC concentration levels (low, medium and high) and that at least 2/3 of the total QCs and 50% at each concentration level show an accuracy within a range of ±15%. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating whether the criteria are met. 

Details >
SANTE Guideline 12682

C15 determination system has been shown to be free from significant drift

Sample sets processed without bracketing calibration using the SANTE C15 guidance must be evaluated to ensure that the internal standard peak area does not show a significant drift. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating whether a sample should be flagged. 

Details >

C16 unknowns should lie within the range of the calibration curve

Sample sets processed using the SANTE C16 guidance must be evaluated to ensure unknown peak areas lie within the calibration curve range. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating whether a sample should be flagged. 

Details >

C18 response factor check

Sample sets processed using the SANTE C18 guidance must be evaluated to ensure that calibration by interpolation is acceptable in terms of level and response factor of the calibration standards. To automate this, SCIEX generated two sets of calculations and flagging rules that provide custom columns indicating whether a sample should be flagged.

Details >

D2 retention time check

Sample sets processed using the SANTE D2 guidance must be evaluated to ensure that the retention times for all components in the unknown samples are within a defined range compared to the calibration standards. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating whether a sample should be flagged.

Details >

Residual plot

Sample sets processed using the SANTE guidance for Residual Plots must be evaluated to ensure that the residuals do not show a trend. To automate this, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating  whether the chosen function is suitable. 

Details >
EU Directive 2020-2184
Sum of PFASTo automate the evaluation of the Sum of PFAS, SCIEX generated a set of calculations and flagging rules that provide custom columns indicating if the upper limit is reached.Details >Â