Updates to Diff Iso Scoring Algorithm (and more options)

[PMSeitzer]

• Some isotopes show bad m/z - may be miscalculating m/z boundaries/offsets - verify that this isn't the case (or fix it if it is).
• If the [M+0] is completely missing in the unlabeled samples, sometimes there is still good signal in the higher isotopes. Might be a way to think about checking for this case (e.g., re-extraction?)
• To help evaluate various scoring approaches, save all of the diff iso information in a table, so that different statistical tests can be explored for scoring (no need to reimplement them, just use implementations already available in R).
• If determine, implement a new scoring algorithm (see https://github.com/calico/mass_spec/issues/1363)