example.res 4 ! q number for binning 1,1 ! values 0.05 ! unfitted error 1 ! PQR separated 0/1=N/Y 0 ! 0=o-c or 1=o-c/sigma 0 ! exclusions: 0=None 1=>3sigma 2=unfitted 3=>3sigma+unfitted 4=unfitted+>900 errors | | The above is for a PIFORM results file EXAMPLE.RES for an asymmetric top with a vibrational quantum number, hence bin data files will be extracted for v=1<-1 transitions. Bin data files with names ac_1_11.out, ac_2_11.out, ac_3_11.out etc. will be generated, collecting obs-calc or (obs-calc)/sigma points of similar magnitude. The diagram based on these is up to the user and requires a suitable gle (or other graphics program) script. Only the top block of lines containing responses to questions asked by AC are read by the program and the last such line is the one with the '! exclusions:' comment. Lines below it are not read and can be used as desired. -------------------------------------------------- Example with an additional file name suffix: example.res -4 ! q number for binning: -ve for alphanumeric suffix which is to come after values 1,1 ! values test ! optional suffix for bin names requested by negative q number 0.05 ! unfitted error 1 ! PQR separated 0/1=N/Y 0 ! 0=o-c or 1=o-c/sigma 0 ! exclusions: 0=None 1=>3sigma 2=unfitted 3=>3sigma+unfitted 4=unfitted+>900 errors | | The above writes bin data files with names ac_1_11_test.out, ac_2_11_test.out, ac_3_11_test.out etc.