GitLab

* now update procedure for pip in prasopes help.

* user can select between precise and fast chromatogram routines.

* it looks like working, code is messy.

Fixed bug related to conversion from str to float

* at least a bit of code-checking - prevention from crashes

* removed err from last commit
* unified mobility routines
* a bit spaghetti code at the moment

* unified get_subargs routine

* thx to Michał Startek

* minor fixes and changes too

* so-far no distinction between MS and MS/MS

* mass spec can be derived from mobility
* minor fixes

* mass spec can be derived from mobility
* minor fixes

* Export TimTOF working
* everything seems fine
* BUGS TO BE EXPECTED
* TODO:CHECK FUNCTIONALITY ON KNOWN DATASETS

* export still missing

* Got table working somehow

* tofTools GUI - 1st part

* also change of the width in DRL parent table peak profiler

* fixed bug in Thermoset interpretation
* fixed export

* still many things broken

* DRL seems broken (wrong peaks picking)
* checks to be made

* introduced sampling (to be refined!)

* not tested everything in DRLtools, but core seems working.

* spectrum for arbitrary timeframe can be requested