Convert WITec or ROD data from the command line

This is the terse reference version of Tutorial > Convert your first Raman dataset — copy-paste commands, no explanations.

WITec Alpha .txt export + ELN

pynx convert 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 witec_example.nxs

A single Raman Open Database .rod file

pynx convert examples/database/rod/rod_file_1000679.rod src/pynxtools_raman/config/config_file_rod.json --reader raman --nxdl NXraman --output rod_example.nxs

No ELN file is needed here — .rod files already carry their own metadata, and the reader picks config_file_rod.json automatically once it sees a .rod input (passing the config file explicitly, as above, still works and is harmless).

What each flag does

• --reader raman — selects the pynxtools-raman reader.
• --nxdl NXraman — the application definition the output should conform to.
• --output <file>.nxs — where to write the result.
• the .json file — the config file that maps input data onto NXraman concepts. Detected by its .json extension.
• the .txt/.rod/.yaml files — raw data and (for WITec) the ELN file, detected by their extensions.

Converting many .rod files at once

For batches of ROD records — and for preparing a NOMAD upload out of them — use pynx-raman build-upload-batch instead of calling pynx convert in a loop; see How-to > Build a NOMAD upload batch from the Raman Open Database.

Inspect the result

Open the generated .nxs file with H5Web, the VS Code H5Web extension, or any HDF5 viewer.