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Truncated exact masses in SU000015.txt #25
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Library file has just two decimals, nothing I could do: I had added the "Bruker " prefix to the instruments because of issue #8 . |
In this case, reject Thermo (or non-Bruker) files? All of these were Eawag spectra already in MassBank… From: sneumann [mailto:[email protected]] Library file has just two decimals, nothing I could do: I had added the "Bruker " prefix to the instruments because of issue #8#8 . — |
AC$INSTRUMENT: Bruker LTQ Orbitrap XL Thermo Scientific (OK, ignoring the Bruker, these are Eawag Orbi spectra):
PK$PEAK: m/z int. rel.int.
77.04 1 1
85.04 1 1
104.05 5 5
These peaks are truncated (should be 4 decimal places). I'd say already in the *.library (most other of our Orbi spectra look fine).
Reject?
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