MassBank / MassBank-web

The web server application and directly connected components for a MassBank web server
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Numeric issues for intensities in MassBank-web #242

Closed sneumann closed 4 years ago

sneumann commented 4 years ago

Hi, we got a report that our abundances look strange:

https://msbi.ipb-halle.de/MassBank/RecordDisplay?id=PB006042

PK$PEAK: m/z int. rel.int.
  115.053 5775.77978515625 576.0
  116.057 640.6409912109375 63.0

MassBank-data https://github.com/MassBank/MassBank-data/blob/master/IPB_Halle/PB006042.txt has

PK$PEAK: m/z int. rel.int.
  115.053 5775.776 576
  116.057 640.641 63

The OpenAPI has the same values: https://msbi.ipb-halle.de/MassBank-OpenAPI/record/PB006042 @meier-rene has already an idea. Yours, Steffen

meier-rene commented 4 years ago

This is fixed now and the Validator also tests numerical issues like this in the future. Thanks for reporting.