Chemotion – NMR Preview issue with certain zipped datasets

[Nicolass67]

Description

Some zipped NMR datasets fail to load correctly in Chemotion’s Analyses preview and in ChemSpectra (editor), depending on the spectrometer and file structure.

Context

1H-NMR_broken.zip (Bruker 300 MHz, automation) → does not load

1H-NMR_works.zip (Bruker 250 MHz, manual insertion) → loads correctly
Both archives contain raw Bruker directories. The difference appears related to how files are organized/generated by the instrument/automation.

Files

1H-NMR_works.zip
1H-NMR_broken.zip

Additional context

The broken dataset’s 1/ directory does not contain processed Bruker files (1r, 1i). Only the raw FID is present. We should provide a fallback that reconstructs the processed spectrum from the FID using available parameters (acqus, procs, etc.) so the dataset can still be previewed/edited.

Expected outcome

• All standard zipped Bruker NMR datasets should either:
• Preview and open in ChemSpectra, or
• Provide a clear, actionable error explaining what is missing (e.g., “no 1r/1i; attempting FID reconstruction”).

Proposed solution

• Implement an automatic FID → processed reconstruction path when 1r/1i are absent
• If reconstruction is impossible, surface a precise error message listing missing inputs.

Acceptance criteria

• Broken ZIPs without 1r/1i successfully render via FID reconstruction (matches NMRium display within reasonable tolerance).
• Works ZIPs continue to load unchanged.

References

Helpdesk Ticket: #501063