Chemstation question

[Consumer Products Guy]

Are there any feature on the Agilent Chemstation to average the results of the injections from each vial? For example, in my sequence summary report I obtain the list of the percentages in each sample (each vial); fine. But for my duplicate or triplicate injections for each vial, is there a way to get an average of the values for each vial? Or similar using the individual reports that would give an average of the individual percent before going on to the next vial? Like a macro?? Even though I helped the fellow with the "enhanced" integrator issue, I am in reality somewhat weak on computer macros, maybe there's something in the Sequence Output. thanks.

[Rolandas Plausinaitis]

You can set up some statistical calculations (it will give not only average but some more data) for sequences (not individual injections).
In "Method and run control" go to menu "Sequence", select "Sequence output". In the dialog box check "Print sequence sumary report". Using "Setup" you can select which calculations to activate. Additionaly you can have other report parts printed.
This report is printed after all the steps of the sequence are completed.

Hope this helps.

[Consumer Products Guy]

Thank you, Rolandas, I will try out tomorrow. We always use the Sequence Summary Report feature anyway (like I said, my computer knowledge is lower than my chemistry). With a little luck, I'll be able to do that and not have to ask a follow-up question. I knew that my helping others here would be returned with me getting help from others, thanks.

[Consumer Products Guy]

OK, Rolandas or others, I still need help. I found that in Setup Options in Sequence Summary Report that #8 can be set to "Extended Statistics". Fine, I reprocessed a set of three injections from a single vial: gave me lots of statistics, two printed pages, one set was the individual % ESTD values, followed by the mean, standard deviation, etc., great (did give me lots of extra stuff I wasn't interested in like mean of the three retention times). OK, next step, try two different vials from that sequence: not so good. Let's assume Vial 2 results were all 10%, and Vial 3 results were all 20%, three injections each; so here's what it did (approximately)
Run 1 10.0%
Run 2 10.1%
Run 3 9.9%
Run 4 20.0%
Run 5 20.1%
Run 6 19.9%
Mean = 15.0% (etc.) I need the first Vial (1 - 3) to deliver a mean of 10.0 and the second Vial to deliver a mean of 20.0%; how can I get there? Thanks.

[Consumer Products Guy]

I called Agilent; they checked and said current Chemstation can't do this, that a macro would need to be developed. Any Macro guys/gals out there who want to take on a challenge?

[khw]

You can go to "reprocessing only" and do a "partial sequence". Taking your example

Run 1 10.0%
Run 2 10.1%
Run 3 9.9%
Run 4 20.0%
Run 5 20.1%
Run 6 19.9%

you first will process Runs 1, 2, 3 (including the proper calibration runs). The sequence summary report (or Glprpt.txt) will give you then the complete statistics (including such important things as stddev of RT ).

Afterwards you do the same with Runs 4,5,6 (also including calibration) and get the results again in a file. If you did not rename, the first one will be overwritten, take care!

Admittedly not as fine as a macro, but it works. We do this in version A.6.04. For we do not need it too often, I was always too lazy to develop a macro for this. If I have some spare time ...

[Consumer Products Guy]

KHW: yes, I already know that I can do that the way you stated. One can change the .txt file name prior to 2nd reprocessing. However, we have way too may samples to do all those that way, easier to mentally average or use hand-calculator or Excel.

[khw]

What I do have is a macro that after each run writes the information of the run in a text file, i.e. sample name (taken from the sequence table), compound name of the peak (from the calibration table), retention time, amount, peak height and peak width. This text file is then used in a second macro for my final calculation, but during the runs I often troubleshoot using this information. In your case I would expect Excel could take the information and with some pivots you should have your results. Let me know whether you are interested.

EDIT: Just checked it, that is how it looks like after doing the pivot. Sorry for the scrambled output, but I hope it will come recognisable.

Average of area
_____________compound
Sample B10013 BH0322 H34149 HM0213 T9909
1190-02 5405.67 1630.53 50.83 1290.02 11.96
1441-02 5612.01 1736.87 80.37 1345.82 12.68
3330-03 5426.46 1689.83 124.43 1391.04 11.79
Standar 5340.51 1494.03 278.32 1652.30 13.48

[Consumer Products Guy]

Sorry, that doesn't mean anything to me.

[khw]

The table given above is an Excel Pivot report I have generated from my temporary results file. Across the rows it gives the average area values from three injections for my samples "1190-02" "1441-02" "3330-003" "Standar" . The compounds I have looked for are down the rows, they are "B10013" "BH0322" "H34149" "HM0213" "T9909"
The pivot report can be tailored to show what you are interested in, e.g. standard deviations or assays.