Spectral file compatibility for CSV Excel JCAMP DX SPC and OPUS

Spectral file compatibility for CSV Excel JCAMP DX SPC and OPUS

A familiar extension is the start of a compatibility check, not its conclusion. Spectral software must identify the measurement axis, signal values, scan boundaries, sample information, and units. Two files with the same extension can encode those elements differently.

Delimited text and Excel

CSV, TSV, TXT, and DAT files work best when columns and rows have a consistent meaning. Spectral channels may appear as columns with one scan per row, or the table may be arranged in another documented layout. Metadata such as sample name, batch, instrument, or acquisition time should be distinguishable from spectral values.

XLSX workbooks can contain multiple sheets, formulas, formatting, and mixed tables. Drift Watcher reads stored values needed by the supported layout. Formula cells therefore need saved results. Legacy XLS files are outside the current supported scope.

JCAMP DX

JCAMP-DX has several conventions and compression forms. Drift Watcher supports common plain numeric records in DX, JDX, and JCM files. Compressed ASDF records are outside the current importer scope. Header fields still need to describe a coherent axis and signal.

Galactic SPC

The current importer covers new-format little-endian SPC. Old-format and big-endian SPC are outside the supported scope. Multi-file and subfile structures should be checked with representative exports rather than inferred from the extension.

Bruker OPUS

OPUS files can contain multiple blocks and vary across instrument and software generations. Drift Watcher reads compatible processed blocks in numeric and OPUS extensions. This does not imply support for every block type or every instrument generation.

Scientific compatibility after parsing

Successful parsing does not prove that two datasets should be compared. Confirm axis type, units, channel positions, intensity meaning, measurement method, and the population represented. Same-range spectra on different channel grids may need an explicit resampling method. A compatible file can still be unsuitable for the intended reference.

For a compatibility review, provide the instrument family, software export option, extension, operating system, approximate scan count, and measurement axis. Do not attach confidential spectra to the public demo form. A representative file can be reviewed later through an approved transfer process or locally during a call.