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Instrument type - it should be LC-ESI-QTOF #9

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sneumann opened this issue Sep 29, 2014 · 4 comments
Open

Instrument type - it should be LC-ESI-QTOF #9

sneumann opened this issue Sep 29, 2014 · 4 comments

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@sneumann
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@sneumann sneumann changed the title Instrument type - it should be LC-ESI-QTOF, if I understand correctly Instrument type - it should be LC-ESI-QTOF Sep 29, 2014
@schymane
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to be read from the settings file

@sneumann
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The Bruker library contains ESI-TOF. We can't map from ESI-TOF to LC-ESI-QTOF
automagically, if the library contains mixed stuff from e.g. a microTOF and maXis.

@schymane
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This answer to #8 was partially meant to be here:
Isn't overwriting this with the settings file a bit dangerous if the library files are indeed mixed? But, if they are mixed, other settings will also presumably be wrong? Are there consistent entries in the *.library file that can be converted to the correct instrument type in MassBank?

@schymane schymane reopened this Nov 20, 2014
@schymane
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So, the problem with the "overwrite with settings file" is shown beautifully for e.g. SU00015.txt
AC$INSTRUMENT: Bruker LTQ Orbitrap XL Thermo Scientific
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$CHROMATOGRAPHY: Column: Dionex Acclaim C18

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