Data Export for Chemometrics (Export to Multi-File)

This feature can combine multiple spectra, with no limit, to a multi-file. A multi-file is a single file that contains multiple related spectra. The spectra must have a common X-Axis. A multi-file is essentially a two-dimensional matrix of spectra.

Chemometricians often use programs like Matlab, Excel or Python to explore and process data. If done manually, data 'munging' like this can take a lot of time, and can be tedious and error prone. Peak® Spectroscopy Software helps by automating the export.

In this screenshot, twelve NIR spectra of Erythromycin tables have been loaded into a window. Erythomycin spectra for export to multi-file

This is the 'Export to Multifile' tool in the 'Data' toolbox. The Export to Multi-File tool

The spectra can be exported to these formats:

  • To Clipboard
  • To .CSV File
  • To Excel File
  • To Matlab File
  • To GRAMS (.spc) multifile
  • To JCamp-DX (.jdx) multifile
  • To Python numpy (.npy) File

The same data after export to an Excel file with 'Include X-Axis' checked. Column A is the X-axis values. The spectra are in subsequent columns.

a Multi-File exported to Excel