masserstein

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Fixing issues like: https://github.com/mciach/masserstein/issues/26

BDomzal

Zero-intensity measurements in experimental spectrum cause a shift of noise in results of `estimate_proportions`. Note: zero-intensity measurements are needed for profile spectra to properly handle peak boundaries. Example: ``` T1...

mciach

Spectra contain a boolean label `empty` which has an odd behavior. This causes problems with `Spectrum.merge_confs()` method, because it checks this attribute. Example: ```` T = Spectrum(confs=[(1.0, 1), (1.01, 1)])...

mciach

It would be useful to directly support widely used format for spectra, such as for example [mgf](http://www.matrixscience.com/help/data_file_help.html). For example ``` WSDistance. spectrum1.mgf spectrum2.mgf ```

lgatto