MassBank / MassBank-data

Official repository of open data MassBank records
74 stars 59 forks source link

Check Creatinine records #52

Closed schymane closed 4 years ago

schymane commented 5 years ago

There appear to be some creatinine records that are noise only or close too it where we should also consider removing poor records. This one has good intensity, few peaks but looks fine, I've used it to compare: https://massbank.eu/MassBank/RecordDisplay.jsp?id=SM868004&dsn=CASMI_2016 PK$PEAK: m/z int. rel.int. 57.0575 160462.5 2 58.0653 4760539.5 69 70.0653 149661.5 2 72.0445 776245.8 11 86.0713 4838806 71 114.0662 67953792 999

These ones are very low intensity, two have peaks that are clearly noise only, two have peaks that are in the peaklist above but still close to noise, missing other main peaks and I recommend actually to remove all four UF records ... again these failed QC by Herbert Oberacher.

https://massbank.eu/MassBank/RecordDisplay.jsp?id=UF412504&dsn=UFZ one or two genuine peaks, rest noise, low I https://massbank.eu/MassBank/RecordDisplay.jsp?id=UF412501&dsn=UFZ noise only? https://massbank.eu/MassBank/RecordDisplay.jsp?id=UF412503&dsn=UFZ one or two genuine peaks, rest noise, low I https://massbank.eu/MassBank/RecordDisplay.jsp?id=UF412502&dsn=UFZ noise only?

@meier-rene @tsufz

schymane commented 5 years ago

According to feedback from @tsufz these are indeed noise, with the wrong retention time and should be deprecated. @meier-rene are you able to deprecate the UFZ Creatinine records? Thanks!

schymane commented 4 years ago

Can these be deprecated please? @meier-rene @tsufz