Update on adducts list and additional script

kbseah / mass2adduct

Analysis of matrix-metabolite adducts in MALDI mass spectrometry imaging datasets

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Update on adducts list and additional script #4

Closed DennisJakob closed 5 years ago

DennisJakob commented 5 years ago

Hi Brandon, I added further adducts to adducts.tsv and adducts2.tsv. I further added two scripts do_correlation_images.R and do_intensity_matrix.R to mass2adduct/inst/ Both scripts are coded with arguments as command line options. If you have time you could try them on the test dataset. Cheers

kbseah commented 5 years ago

Hi @DennisJakob , I think you forgot to git add the two R scripts in the inst/ folder. In the last commit b91ea56 I only see that the old versions of the scripts were deleted.

DennisJakob commented 5 years ago

True, story. Sorry for that. I added them now, please try again. Cheers

kbseah commented 5 years ago

Thanks Dennis! One last thing, could you send me a test dataset with both the ImzML and CSV files to use for testing the scripts?