lifs-tools / rmzTab-m

The R-language bindings for mzTab-M
https://lifs-tools.github.io/rmzTab-m/
MIT License
4 stars 1 forks source link

Metadata parsing: database name not parsed #24

Open sneumann opened 2 years ago

sneumann commented 2 years ago

Hi,

in an mzTab exported by [MS, MS:1003082, MS-DIAL, 3.98] the metabolite databases are listed. In the metadata object metadata$database[[1]] the name "User-defined MSP library file" is missing.

Not sure if that is an issue with the generated mzTab or the reading by rmzTab.

Yours, Steffen

MTD database[1] [,, User-defined MSP library file, ]
MTD database[1]-prefix MSP
MTD database[1]-version Unknown
MTD database[1]-uri file://C:/MoNA.msp
nilshoffmann commented 2 years ago

Thanks for reporting. I need to investigate this a bit more. Could be missing or incomplete implementation.

sneumann commented 2 years ago

The database information is also present in the example: https://raw.githubusercontent.com/HUPO-PSI/mzTab/master/examples/2_0-Metabolomics_Release/msdial/lcmsms_dda_hydrophilic_height_mzTab.txt Yours, Steffen