Chris Bielow

merge when ready and tests pass

and https://hupo-psi.github.io/mzQC/use-cases/analytical-chemists/

not convinced this is the way to go. Sure, the memory footprint is identical, due to padding in Peak1D and Peak2D. However, doing non-trivial computations on doubles, like `log()` will...

How does this PR affect parallelization? The omp loop ends above the section you changed. This is (and was) single-threaded code (unless I really need my eyes checked)

> I'm probably wrong but MQ do not care much about fraction identifiers, they do transfer also across fractions. My guess is based on the assumption that MQ do not...

I only have very old data (and I would need to dig a lot to find it) and anecdotal evidence. there is https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7346880/ which does not discuss fractions, but shows...

there are a few more errors on Windows, see https://cdash.seqan.de/viewBuildError.php?buildid=408191 i.e. avoid boost::filesystem because this requires more Boost libraries than OpenMS currently pulls in.

> probably needs to be added to contrib no, it needs a rewrite with code that was in place in a previous version. @ncbender ?

Thanks for the contribution. Will this algorithm be used in a larger context or exposed to Python? Otherwise it feels a bit orphaned...

on first sight, the code looks correct: ``` c:\dev\openms>git grep OPENMS_PACKAGE_VERSION_FULLSTRING CMakeLists.txt: set(OPENMS_PACKAGE_VERSION_FULLSTRING "${OPENMS_PACKAGE_VERSION}-pre-${OPENMS_PACKAGE_VERSION_PRERELEASE_IDENTIFIER}") CMakeLists.txt: set(OPENMS_PACKAGE_VERSION_FULLSTRING "${OPENMS_PACKAGE_VERSION}") CMakeLists.txt: set(OPENMS_PACKAGE_VERSION_FULLSTRING "${OPENMS_PACKAGE_VERSION}-pre-${OPENMS_PACKAGE_VERSION_PRERELEASE_IDENTIFIER}") cmake/Windows/Cfg_Settings.nsh.in:!define VERSION "@OPENMS_PACKAGE_VERSION_FULLSTRING@" cmake/package_deb.cmake: set(CPACK_PACKAGE_FILE_NAME "${CPACK_PACKAGE_NAME}-${OPENMS_PACKAGE_VERSION_FULLSTRING}-Debian-Linux-x86_64") cmake/package_deb.cmake: set(CPACK_PACKAGE_FILE_NAME "${CPACK_PACKAGE_NAME}-${OPENMS_PACKAGE_VERSION_FULLSTRING}-Debian-Linux-x86") ```