Plots predicted spectrum
uncommented print # of triples in v13
Merge branch 'master' of https://github.com/pategroup/bband_scripts into beaver
moved fitting gui_v1 to autofit directory
moved old gui test to old folder
Alternate GUI
updates to GUI
v13 for all singly-substituted isotopologues (determined via ab initio output)
moved old GUI versions to old folder
Merge remote-tracking branch 'origin' into newcollege