Update formulaCalculator.R

MassBank / RMassBank

Playground for experiments on the official http://bioconductor.org/packages/devel/bioc/html/RMassBank.html

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Update formulaCalculator.R #282

Closed meowcat closed 3 years ago

meowcat commented 3 years ago

I added the DBE of Boron, Aluminium and Gallium as well as that of Calcium. They are all based on the data provided by the Thermo Xcalibur Qualbrowser and might need to be tested if they give correct results!

sneumann commented 3 years ago

Looks good to me. I didn't check for "correct results". Yours, Steffen