Peak Qualifier results are missing in OLIR

Hi M.,

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.

Hi M.,

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.

Hi testuser2,

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.

Regards

     M.