Dear developers,
recently I got aware of your software and wanted to evaluate if it for
evaluation of the metabolism of compounds in the research environment.
I was really impressed concerning the features that you have implemented.
Congratulations from my side.
I have 2 questions.
I found that the retention times were wrong after having imported a Xcalibur
rawdata file. I assumed that the number or
time format could have influenced the display or calculation. However changing
these settings according to the manual did not correct the
retention time issue but made it even worse (was this implementation checked).
Wrong assignment of RT is only in the seconds range but
it already starts with the second scan. Did you assume constant scan rates or
do you really read the actual retention time as it is stated in the
rawfile scan by scan ? Could you please advise how to get the correct retention
time as they are present in the rawfile.
Would it be possible to get the nearest MS/MS and MS3 mass spectrum included in
the final table if the rawfile was acquired with data-dependent
scanning ? This would help very much. Could you implement this feature or would
it need additional action to get it implemented ? Please let me know
what you think about implementing this special request.
Looking forward to hearing from you
Kind regards,
Joachim Blanz (PhD)
Investigator III
Novartis Pharma AG
Postfach
CH-4002 Basel
SWITZERLAND
Phone +41 61 3240445
Fax +41 61 3240342
joachim.bl...@novartis.com<mailto:joachim.bl...@novartis.com>
www.novartis.com<http://www.novartis.com/>
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