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hpgeresanalyzer's Issues

Pandas copy vs view

Execution works but returns the warning

See the caveats in the documentation: https://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy
  suitable_lines["Isotope"] = ig[condition].index
/home/matej/anaconda3/lib/python3.8/site-packages/pandas/core/indexing.py:1596: SettingWithCopyWarning: 
A value is trying to be set on a copy of a slice from a DataFrame.
Try using .loc[row_indexer,col_indexer] = value instead

Add NAA mode

I.e. mode when we have no idea what isotope does it come from

Colour lines in the output file

This would require converting csv to xlsx and maintain the xlsx content by py package.
Measured rows should differ from the others.
Colours should determine the origin of an isotope.
Shades should determine half-life.

Tidy up the output columns

  • drop unnecessary ones
  • split results into value col. and uncertainty col. for easier manipulation
  • make readable permutation

Known isotopes gammas assignment

Assigning gammas to known isotopes perhaps could be faster using radiation search.
Or, rewrite the current solution using pandas. The issue is in possible more peaks in the E+-FWHM range.

Invalid half-life threshold

Criterion half-life > 0.1 * (acquisition started - irradiation ended) is invalid, because

  1. there may be secondary decay products, which existence violates such criterion
  2. depending on irradiation flux, irradiation time and detector sensitivity, some elements would not be possible to track sooner than in 10 half-lives, some may be able to track even after that

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