Manually integrating results and samples

If I have a sample set where of the 10 samples, I need to manually integrate one of the samples, so I do this by manually integrating the peak then selecting Quantitate icon and then File>Save Result. However when I then batch process this sample set using calibrate and quantitate the result set displays the original integration around that peak and I presume that's because when you process the sample set with the embedded method set/processing methods its following the integration parameters there and not your manually integrated peak. 

My question is, is it better to manually integrate and save results from the sample set when you are reviewing your injections or is it better when the result set has been generated to manually integrate and save results from there in order to keep all the results (original and manual) together with the same result set whereas if you create a manual result from the sample set/review stage its floating around in the database and not linked to that result set when processed?

Best Answers

  • Accepted Answer

    If I must, I always accomplish this by altering the result set.

    If you need difference processing parameters for samples versus standards on account of various reasons (concentration, other impurities present, etc), then I would recommend two different method sets each containing their own processing method. When you setup a sample set, run in accordance with this scheme. Then process by acquiring method set.

    Manual integration always raises flags, unless you are performing pure R&D work.

  • Accepted Answer
    For traceability I prefer strongly to save Manually integrated results into the Result Set, 
    For samples the easiest is simply to add the manuals result to the set by saving in Review. CLearly labelled, and right next to the auto integrated peak to justify why you did it.

    A second approach is that you can save the manually integrated chromatograms and then reprocess “Usinging Existing Integration” Provided you have not changed the method, a new result set in created that includes the single manual result.

    However, best to have a method that works automatically for all stds and samples, providing you are not spending over an hour finding a set of parameters that work., Any longer than that, and in my lab, I would insist you clearly manually integrate it.

    Results that hang around on their own is a true lay bad idea


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