[NOP,INTERNAL] change variable name, fix pointer by reference, docu
[FATURE] add precursor isotope score
[FIX] replace max_ppm_diff with real parameter
[NOP] typo
[FEATURE] add isotope fullscan MS1 scoring

- [DOC] docu, nop
[TEST] add test output
[TEST] extend test
[FIX] add ms1 scores to tsv output
[BUILD,INTERNAL] add macro for OpenSwath assertions
[FIX] do not add xic of the precursor chromaotogram to total
[FEATURE] compute second score for isotope overlap

- also compute maximal ratio score
- use the maximal ratio for precursor based scoring
[TEST] additional tests for MS1 based scores

- also test isotope overlap score on MS1 level
[FEATURE] new CLI flag for using MS1 traces
[FIX] fix deleted test from ef9e6684be4959f909d7b364fd521ce395e3976a
[TEST] test with and without MS1 precursor trace
[FIX] remove non-working tests again
[FEATURE] also write out chromatograms to mzML
[DOC] add documentation about deprecated methods