# symbol:lowest mass isotope,number of isotopes (including "missing" ones),fractions
# "missing" isotopes must be entered as zero
C:12,2,0.989,0.011
H:1,2,0.99985,0.00015
N:14,2,0.9963,0.0037
O:16,3,0.99762,0.00038,0.002
Cl:35,3,0.7577,0,0.2423
Br:79,3,0.5069,0,0.4931
I:127,1,1.00
Si:28,3,0.922,0.047,0.031
Ge:70,5,0.205,0,0.274,0,0.365
Sn:116,5,0.143,0,0.240,0.0858,0.3285
Pb:204,5,0.0148,0,0.236,0.226,0.523
S:32,5,0.950,0.0076,0.0422,0,0.0002
#Help messages
IbarH:\TIsoMass application, which calculates isotopic abundance ratios from chemical formulae|M\Sopen the main \w to enter the formulae
H1:This application calculates isotopic abundance ratios from formulae entered in the main window, using natural abundance ratios for all the common isotopes.
H2:The author Chris Johnson may be contacted at:-|M7 Lovedale Grove, Balerno, EDINBURGH EH14 4AS
H3:This is the version number and the date it was produced. Please quote this in any correspondence.|MRegistered users can obtain the latest version by sending a disc + return postage to the author
H4:This window gives information about IsoMass
H5:This is the IsoMass application|MThis window shows a schematic plot of the isotope distribution for the molecule whose formula you entered|MIt should be compared with the actual mass spectrum.
AbunH1:This \w shows the calculated isotope ratios for the formula entered. Ratios less than %0 are ignored|M
AbunH2:The intensities are relative to the largest peak, set equal to 100
AbunH3:The intensities have been normalised to a chosen peak
AbunH4:The intensity of each peak is expressed as a fraction of the total
AbunH5:|MClick MENU to change the way the data is displayed
FormH:\TIsoMass application|MThis \w allows you to enter a formula|MIt also shows the calculated isotopic abundance, and a bargraph of intensity corresponding to the formula
FormH0:Enter the formula using the normal chemical symbols (e.g. C or Cl).|MEach symbol must be followed by a number of atoms including 1.|ME.g. C1H4 for methane, Si1H4 for silane|MIsoMass does not necessarily know about every element
FormH2:\Scalculate the isotopic abundance for the formula you have entered
FormH3:\Sclose this window|MClick \s on the iconbar icon to reopen the window|MThe current data will be retained
FormH4:\Sget even more information about IsoMass
FormHG:This part of the \w gives a bargraph display of the isotope pattern
H8:Enter here the mass number of the isotope to be used as reference peak|MIt must be one of the peaks listed in the abundance \w
H9:Enter here the height (intensity) of the peak you have chosen to be the reference peak
H10:Click here to carry out the normalisation.
H11:Use this window to normalise the isotope ratios to any peak height.|M
NormH5:\Sto close this \w and ignore anything you have entered
HelpH:\Tadditional information \w for IsoMass
SaveW0:\Da directory viewer to save the data in %0 format
SaveW:This \w allows you to save your data in %0 format
SaveW1:Enter the name for the file you wish to save|MIf the full path name is entered you may then click on OK or press RETURN|MIf you just enter the filename then you must drag the file icon to a directory viewer
SaveW2:\Ssave the data in %0 format|MThe full path name must be set up in the writable icon for this to work
# menu help messages
Mibar0:\Rsee information about IsoMass and the author
Mibar1:\Squit the IsoMass application|MAll windows will be closed, and the IsoMass icon removed from the iconbar
Mform0:\Rchange the way the results are displayed
Mform0>0u:\Sdisplay the abundance of each peak as a fraction of the total
Mform0>0t:This item is ticked - the abundance of each is shown as a fraction of the total
Mform0>1u:\Sset the largest (base) peak to 100, with other peaks expressed relative to the largest peak
Mform0>1t:This item is ticked - the largest peak is set to 100, with other peaks expressed relative to the largest peak
Mform0>2:\Rnormalise the isotopic abundance to any base peak
Mform0>3:\Rchange the number of significant figures used to display the results
Mform0>3>0/Mform0>3>1/Mform0>3>2:\Schoose the number of significant figures used to display the data
Mform0>4:\Rchange the threshold intensity below which peaks are ignored
Mform0>4>0/Mform0>4>1/Mform0>4>2:\Schoose the size of the smallest peak to display
Mform1:\Rsave the data as a text file, or in MSplotter format
Mform1>0:\Rsave the data as a text file
Mform1>1:\Rsave the data in MSplotter format
MformSig:This item is ticked - it shows the number of significant figures being used to display the data
MformIg:This item is ticked - it shows the threshold level below which peaks are ignored
# error messages
E0:Out of indirect memory for icon. Application terminated.
E1:Zero number of atoms entered
E2:Too large a number of atoms (99 max)
E3:Unrecognised symbol (%0) in formula
E4:Isotope ratios not calculated
E5:Enter a mass within the range of masses shown in data window
E6:Height to normalise to must be a positive value
SaveEr1:To save, drag the icon to a directory viewer
FileEr1:Data Transfer Failed, receiver died
FileEr2:Data transfer aborted, ram transmit not acknowledged
