MSRESOLVESG. A program for converting mass spectrometry signals to concentrations. Baseline corrections, smoothing, solving overlapping patterns, mass spectrometer tuning, and more.
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Tuning Correction for tuningCorrectionIntensity (Correction Values) should be checked for cases where pattern max changes #268
In some cases, the tuning correction pattern feature can result in a change in which mass fragment is the maximum. After that, when the pattern becomes standardized, does this cause a problem for the sensitivities?
The feature of tuningCorrectionIntensity exists, and maybe it is sufficient to correct even when the pattern gets "re-standardized", but it should be checked that no adjustments need to be made for cases as described above.
There is an example in the attached directory where File "Before and After for 13butadiene (Ben's Data).xlsx" shows that Butadiene after the correction has a different most intense mass, which causes masses like m39 or so to seem to "go down" after standardization of the tuning corrected file, when in fact they actual went up.
To test this the above concern , a fictional data file should be made. Then the qualitative behavior can be checked.
In some cases, the tuning correction pattern feature can result in a change in which mass fragment is the maximum. After that, when the pattern becomes standardized, does this cause a problem for the sensitivities?
The feature of tuningCorrectionIntensity exists, and maybe it is sufficient to correct even when the pattern gets "re-standardized", but it should be checked that no adjustments need to be made for cases as described above.
There is an example in the attached directory where File "Before and After for 13butadiene (Ben's Data).xlsx" shows that Butadiene after the correction has a different most intense mass, which causes masses like m39 or so to seem to "go down" after standardization of the tuning corrected file, when in fact they actual went up.
To test this the above concern , a fictional data file should be made. Then the qualitative behavior can be checked.
v1 (Working).zip