Calibration - suggestions: implementation of compound qualifiers, LOQs (OpenLAB CDS)

Discussion created by berndh on Aug 3, 2018

Dear agilent-team,


With OpenLAB CDS 2.3 it is finally possible to quantify compounds or groups using a reference calibration curve if the reference compound is missing in the sample injection (KPR# 124594) - which helps us a lot, thanks to the developers for that :-)


two suggestions for a future release:


1) would it be possible to implement qualifiers for reference compounds via the calibration table? For example min/max peak heights, area etc.?


we often use one standard at 100% concentration for assay determination, and at say 0.2% for purity determination. Two seperate standards containing the same compound (named differently), two separate calibration curves.


Right now, the compound has to be manually assigned (assay/purity) in the calibration standards, as they obviously elute at nearly the same retention time. With qualifiers like peak height, it should be possible for the system to assign the peaks correctly - say compound has a height < 10 --> purity; height > 1000 --> assay.


2) LOQs: it is possible to assign a limit of quantification (for example area%, area) via the integration events. In our case, different compounds often have different limits of quantification (and are often expressed not as area% but as calculated concentration results, like for example 0.05%). Therefore it would make sense to assign the LOQ using the calibration table.

Our "workaround" is using custom calculations to create "reportable values", peaks that are >= their respective LOQ. - which works fine, but is not as elegant.


Best regards,