Update records to be compliant with Record Format 2.4 #99
Labels
compliance with Record Format
Issues for data curation based on Record Format
data curation
This issue is related to data curation.
feature for validation
The following fields and entries do not comply to the latest Record Format and should be changed in the data for harmonisation.
Those tags are wrongly used or the terms changed during the last years:
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD
->AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE
AC$MASS_SPECTROMETRY: FRAGMENT_VOLTAGE
->AC$MASS_SPECTROMETRY: IONIZATION_ENERGY
AC$MASS_SPECTROMETRY: IONIZATION_POTENTIAL
->AC$MASS_SPECTROMETRY: IONIZATION_ENERGY
AC$MASS_SPECTROMETRY: RESOLUTION_SETTING
->AC$MASS_SPECTROMETRY: RESOLUTION
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE
->AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE
->AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE
->AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE
AC$CHROMATOGRAPHY: RETENTION_INDEX
->AC$CHROMATOGRAPHY: KOVATS_RTI
I checked all entries, they are in the 1000er ranges and thus it is very propably that they are related to the KOVATS_RTI
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE
->AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE_GRADIENT
MS$FOCUSED_ION: PRECURSOR_M/Z
->MS$FOCUSED_ION: PRECURSOR_MZ
@meowcat mentioned that we should avoid slashes in the tags.
This is just a typo:
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE
->AC$CHROMATOGRAPHY: TRANSFERLINE_TEMPERATURE
The following tags can be merged into
AC$MASS_SPECTROMETRY: MASS_RANGE_MZ
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z
AC$MASS_SPECTROMETRY: SCANNING_RANGE
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