I've created a small template that could be developed further to an alternative solution.
I'm using a category aggregator to calculate area and response ratio. That part is easy, as you said.
For peak purity qualification or peak identification I would
- calibrate with "calculate signals seperatly"
- quantify each compound in all signals
- calculate the rel. standard deviation of the amount column. If the peak is pure from a spectra purity perspective, the RSD% of this simultanious quantfication should be < 0,5 %. This could be used as a warning trigger. The warning level needs to be adjusted to the concentration range of the method. If the qualifier signal is very noise, the amount RSD is certainly higher.
2012-1025_response+ratio.rdl.zip 23.8 KB
Using the RSD approach you lose a lot of spectral information and I was mainly interested in identification and less in peak purity. In addition I have 20 calibrated peaks with a 5 level calibration and 5 signals. Calculating them separately would create a calibration table with 500 rows.
I admittedly had hoped that someone would write a quick macro to copy the “Qualifed” column for a compound to a compound custom field, so it would end up in the ACAML file.
I went ahead and flagged the "Correct Answer" on this post. If you still need help though, please let us know and we would be happy to continue working with you.