Skip to main content

parse_spectrum_file

nereids_io::spectrum

Function parse_spectrum_file 

Source 
pub fn parse_spectrum_file(path: &Path) -> Result<Vec<f64>, IoError>
Expand description

Parse a spectrum file from disk.

Returns the first column of numeric values, skipping comment and header lines. Supports comma, tab, and whitespace as delimiters.

ยงAssumptions

  • Column semantics: only the first numeric column is extracted; any additional columns (e.g., counts, intensity) are silently ignored.
  • Units are not inferred: the caller must know whether values represent TOF in microseconds or energy in eV and set SpectrumUnit accordingly.
  • Malformed lines: comment lines (#-prefixed) and blank lines are skipped. The first non-comment, non-numeric line is treated as a header and skipped; a second such line is a hard error.
  • Non-finite values (NaN, Inf) produce a hard error.
  • Minimum length: at least 2 values are required.