Chromeleon Questions

[pkenny]

I have a couple of questions about Chromeleon. I will preface them with we are a GMP lab, so please keep that in mind.

1) We run assays with varying numbers of samples (maybe 1 this week, maybe 6 next week) with multiple injections for each sample. Is there any way in a report to average the results from multiple injections?
Currently I have a summary Report Table for each sample. In the case of multiple samples this means I have mutiple Report Tables. The problem is if I have 1 sample this time and 6 samples next time, I have to keep changing the report file.


2) Is there anyway of using the correlation coefficient (peak.rQuadrat) as a sample condition in the system suitability portion of the .QNT method?



Thanks

[unmgvar]

pkenny,

1) you can use the variable called group average, in category summary table in the RDF. make sure to use a peak summary table, you will need also to change the grouping properties options of this table to be set according to a variable from your sequence. i like to use replicate ID colun from the sequence

2)yes you can, simply disregard the first window of the predefined test in the wizzard and move on. in the test condition window change the settings to those that you actually need. remeber to set the correct rounding value. this test will require you to use agreggation properties which will depend on what you actually do and i cannot help without knowing more on what to set. easier is to press f1 for the help menu when you are in the aggregare window of the wizard.

this should help you to get started, let me know if you need more help

[pkenny]

Thanks for the help. I'm still having a problem with (1) though. As an example, if I have three samples (in autosampler positions 1, 2, 3) and each is injected twice...is there anyway to have a single table that shows the average of the duplicate injections for all three samples? Ideally, I wouldn't have to make any changes to the table if the next time I run the assay I have four samples.

Currently I have a Peak Summary report table, with variables set to restrict it to only unknowns AND smp.position = 1. I then have to do different tables for smp.position=2 and =3. Doing it this way I need a separate table for each sample and have to modify my .rdf file each time I run the assay with a different number of samples.

[unmgvar]

pkenny

you do not need to restrict the table to smp.position.
what you need to do is take a summary table and replace or add for 2 columns:
1. category summary table; variable group average-remember to go to the paramters to set the chromeleon variable that you wish to average.
2. category sample; variable replicate ID.

also in the table do right click chromeleon report table properties.
the half bottom part relates to grouping option.
set it to work with your desired variable which is sample replicate ID in the sequence.
go to your sequence and in the replicate ID column group together all the runs that you wish to average using the same notation for them.

for example:
6 runs- 3 vials in duplicates; so it goes:
vial 1 run1 (A in the replicate ID)
vial 1 run 2 (A in the replicate ID)
vial 2 run 1 (B in the replicate ID)
vial 2 run 2 (B in the replicate ID)
vial 3 run 1 (C in the replicate ID)
vial 3 run 2 (C in the replicate ID)

then in your summary report you should get the average results of the duplicates, the moment you run more samples or less samples the table will automatically update itself (that the cool thing here)
if you have several peaks in the chromatogram all you need to do is click on the peak of interest and results are automatically set for this peak.
i will also advise you to have the same table in the display of the show format so that you can review results more easily as you integrate them and then go to the RDF and print it will save you even more time