Truncated exact masses in SU000015.txt

[schymane]

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?

[sneumann]

Library file has just two decimals, nothing I could do:
Num Peaks: 6
77.04 1 85.04 1 104.05 5 119.06 7 160.09 83 188.08 999

I had added the "Bruker " prefix to the instruments because of issue #8 .
With cross-vendor libraries I'd need to remove that.

[uchem-massbank]

In this case, reject Thermo (or non-Bruker) files? All of these were Eawag spectra already in MassBank…

From: sneumann [mailto:notifications@github.com]
Sent: Donnerstag, 20. November 2014 14:22
To: MassBank/MassBank2NIST
Subject: Re: [MassBank2NIST] Truncated exact masses in SU000015.txt (#25)

Library file has just two decimals, nothing I could do:
Num Peaks: 6
77.04 1 85.04 1 104.05 5 119.06 7 160.09 83 188.08 999

I had added the "Bruker " prefix to the instruments because of issue #8#8 .
With cross-vendor libraries I'd need to remove that.

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Reply to this email directly or view it on GitHubhttps://github.com//issues/25#issuecomment-63806610.