Hey, i started working with IsoSpec not too long ago but am amazed by the speed at which it calculates the isotopic pattern. I was wondering if there is a way to display the isotopic pattern on atomic level, that makes up the molecule mass. Basically the first table that is shown on the website matteolacki.github.io/IsoSpec/. I am using the package on python.
Another minor question was if there is a chance to adjust the proabilites that underly the calculation while using python? As far as i can tell they are stored in a IsoSpecCppPy(...).pyd which i can't easily open.
Hey, i started working with IsoSpec not too long ago but am amazed by the speed at which it calculates the isotopic pattern. I was wondering if there is a way to display the isotopic pattern on atomic level, that makes up the molecule mass. Basically the first table that is shown on the website matteolacki.github.io/IsoSpec/. I am using the package on python.
Another minor question was if there is a chance to adjust the proabilites that underly the calculation while using python? As far as i can tell they are stored in a IsoSpecCppPy(...).pyd which i can't easily open.