Canned Calculation for SANTE Guideline 12682_2019-D2 - Available for SCIEX OS Software

For research use only. Not for use in diagnostic procedures.

Issue Description

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 used features) and contain the custom calculations and flagging rules needed to process data for a commonly-used application, such as the technical guidance for detecting pesticide residues in the European Union, SANTE 12682 2019.

This article provides information on the custom calculations required for processing data according to the guidance found in SANTE 12682 2019 – D2:
‘The retention time of the analyte in the extract should correspond to that of the calibration standard (may need to be matrix matched) with a tolerance of ±0.1 min’
 

Resolution

The idea behind Canned Calculations for SCIEX OS software is to provide a ready-to-go, user friendly, data processing solution containing all the calculations and flagging rules that can be imported into a results table created in the Analytics workspace.
The calculations do provide a plug-and-play approach, but the resulting custom columns in the results table require some additional interpretation after applying the calculations. Each calculation in the package should be evaluated and adjusted to suit each lab's needs, they should apply their own insights when interpreting method guidelines, when identifying the samples used for the calculations, when presenting the results and when linking different calculations.


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 if a sample should be flagged or not. The example result table below shows custom columns, generated with the canned calculations using a default data set (‘Documentation and sample data’), that is available when you are logged in on our website at this link in 'SCIEX OS Resources': https://sciex.com/support/software-support/software-downloads



Requests to obtain the canned calculation package for SANTE 12682_2019 – D2 can be made by opening a case with SCIEXNow and referencing this article.