Data-Format-Conversion

With the command spectrafit-data-converter data files can be converted to CSV or pandas dataframes. Currently, the following data formats are

  • The Athena data format
  • Text files with a header and a data seperator by space or tab
  • More formats are coming soon
Bash
➜ spectrafit-data-converter -f ATHENA -h
  usage: spectrafit-data-converter [-h] [-f {ATHENA,TXT}] [-e {txt,csv,out,dat}] infile

  Converter for 'SpectraFit' from data files to CSV files.

  positional arguments:
    infile                Filename of the data file to convert.

  options:
    -h, --help            show this help message and exit
    -f {ATHENA,TXT}, --file-format {ATHENA,TXT}
                          File format for the conversion.
    -e {txt,csv,out,dat}, --export-format {txt,csv,out,dat}
                          File format for the export.

From ATHENA to CSV

To convert a data file from the Athena format to CSV use:

Bash
spectrafit-data-converter Examples/athena.nor -f ATHENA

The original data file looks like this, but can contains more rows:

Carbon
  # XDI/1.0 Demeter/0.9.26
  # Demeter.output_filetype: multicolumn normalized mu(E)
  # Element.symbol: V
  # Element.edge: K
  # Column.1: energy eV
  # Column.2: JZP-4-merged
  #------------------------
  #  energy  JZP-4-merged
    5263.8492       0.12737417
    5273.8501       0.10231758
    5283.8503       0.81114410E-01
    5293.8492       0.61588687E-01
    5303.8493       0.47158833E-01
    5313.8497       0.35236642E-01
    5323.8502       0.25314870E-01
    5333.8506       0.18438437E-01
    5343.8501       0.12077480E-01

will be converted to:

Text Only
  energy,JZP-4-merged
  5263.8492,0.12737417
  5273.8501,0.10231758
  5283.8503,0.08111441
  5293.8492,0.06158869
  5303.8493,0.04715883
  5313.8497,0.03523664
  5323.8502,0.02531487
  5333.8506,0.01843844
  5343.8501,0.01207748