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Convert Data to NeXus files

for the WITec dataset via: 

dataconverter examples/witec/txt/eln_data.yaml examples/witec/txt/Si-wafer-Raman-Spectrum-1.txt src/pynxtools_raman/config/config_file_witec.json --reader raman --nxdl NXraman --output new_witec_example_neuxs.nxs

and for the Raman Open Database dataset set via: 

dataconverter examples/database/rod/rod_file_1000679.rod src/pynxtools_raman/config/config_file_rod.json --reader raman --nxdl NXraman --output new_rod_example_neuxs.nxs

Explanation for the Raman Open Database commands:

  • You assign the reader name via --reader raman.
  • You assign the NeXus application definition, on which the output will be based via --nxdl NXraman.
  • You specify the name and path of the output file via --output new_rod_example_neuxs.nxs.
  • You assign an individualized config file via src/pynxtools_raman/config/config_file_rod.json. The config file is detected by its extension .json.
  • You give the file which includes the meta and measurement data via examples/database/rod/rod_file_1000679.rod. The parser is specified to detect the .rod file, and handle the content appropriately.

Then you can inspect the generated file at this website or in VScode via the extension H5web.