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qcxms / PlotMS

Plot program for QCxMS spectrum plotting
GNU Lesser General Public License v3.0
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Running PlotMs with -f #17

Closed fmbaiwa closed 1 year ago

fmbaiwa commented 2 years ago

There is an issue when running PlotMs with -f argument. Changing the file name of qxcms.res to file.res and running ./plotms -f file.res results in S T O P - Something wrong in plotms - no spec

Running on Ubuntu 18.04

Shunyang2018 commented 1 year ago

replace this: 

! if CID exists
if ( ex2 .or. ex4 ) then
  spec = 2
  if ( ex2 ) then
    fname = 'qcxms_cid.res'
  else
    fname = 'tmpqcxms_cid.res'
  endif
endif
! for -f option
elseif (index(fname,'cid') /= 0) then
spec = 2 ! CID
else
spec = 1 ! EI
fmbaiwa commented 1 year ago

That works. Add the final endif after the last line

! if CID exists
if ( ex2 .or. ex4 ) then
  spec = 2
  if ( ex2 ) then
    fname = 'qcxms_cid.res'
  else
    fname = 'tmpqcxms_cid.res'
  endif
endif
! for -f option
elseif (index(fname,'cid') /= 0) then
spec = 2 ! CID
else
spec = 1 ! EI
endif