Fix/issue310 - #57
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sneumann wants to merge 125 commits into
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Fix/issue310#57sneumann wants to merge 125 commits into
sneumann wants to merge 125 commits into
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Fix warning in loadRmbSettings('mysettings.ini') in issue #257
Updating to latest version of MassBank/RMassBank dev
…nce again to avoid a duplicate. (This was added to "Suggests" in the updated and merged version as well)
Introduced new slots `AC$MASS_SPECTROMETRY$MS_SCAN_LOWER_LIMIT` and `AC$MASS_SPECTROMETRY$MS_SCAN_UPPER_LIMIT`.
Scan range is now stored as a string in the subtag `SCAN_RANGE_M/Z` of `AC$MASS_SPECTROMETRY`. Example: `AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z "50-210"`
…emanded by the specification
…he entry prefix is not 2. This would lead to the length of the accession number being different from 8 which makes it unusable for the databse. Hence, the user is informed via the warning that the so-constructed accession numbers should be used for internal purposes only.
Arbitrary number of letters in accession number prefix
Inclusion of scan range in record format
Fix Travis error caused by R version
…MassBank.Rmd` This addresses #194
Project tag inclusion
… to address #175 TODO: address warnings caused by nested list
Note: The unlist function behaves very unexpectedly. See the comment in buildRecord.R, line 165ff for details Typo correction: This branch actually addresses #176
@sneumann See new function `.addGenericInfo`
Creating more flexible structure in AC$CHROMATOGRAPHY to allow for third SOLVENT
Fix an issue if no electronic noise was specified in settings.ini, closes #239
from the previous commits
Added the following libraries to 'Imports': - ChemmineR - webchem - data.table - readJDX
…d so Windows builds are single arch only (i.e. 64-bit only)
jcamp parser
Removed a spurious call to 'browser' from leMsMs.r
# Conflicts: # DESCRIPTION
# Conflicts: # DESCRIPTION
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Attempt to fix #310 and #311 by disabling getCompTox()