Add method to applyLockMass

[lpatiny]

applyLockMass('mf', options);

• Calculate from mf the monoisotopic mass

  var CC = require('chemcalc');
  var info = CC.analyseMF(mf);
  var em = info.em;

• Find the closest mass value to this em in the lock mass spectrum
• Calculate the difference between theory and experimental
• Remove all the spectra concerning the lock mass
• Apply the difference to each experimental spectrum (the difference change from one spectrum to another)

[ReinerD]

Info concerning the Lockmass:

[maasencioh]

thank you @ReinerD

[lpatiny]

Thanks. Good to know we need to plan an array of molecular formula !

[maasencioh]

closed in 72108d59a1b649d62ec9fb459efc804b56891b4a