M ssFitting (1995)

Arranged and Developped by

Dr. A. Lehlooh and F. Rawwagah
Physics Department, Yarmouk University
Irbid-Jordan
Welcome to M ssFitting, you can use this package to fit M ssbauer spectra
and view results as well as fitted spectra. In this package you have to find:
(1) Fitting Programs and paramer files:
NFOLD.EXE ..................... Spectrum folding program.
MOSS.EXE ...................... Least square moss Spectra fitting program.
CALIB.EXE .....................
Frange ........................
PRESETED.SET ..................
CALDAT.DAT ....................
MOSS.PAR ......................
FRANGE.PAR ....................

Calibaration program.
Field distribution fitting Program.
Advanced parametrs for MOSS.
Advanced parametrs for FRANGE.
Standard paramters for MOSS.
Standard paramters for FRANGE.
not controlled yet by M.BAT.

(2) Support Programs and files:

M.BAT ......................... Control command file.
RESPOND.COM ................... Program necessary to execute M.BAT.
ED.EXE ........................ Text Editor.
WPVIEW.EXE .................... Text viewer.
TRIANAME.EXE................... Supporting Routine.
CDFNAME.EXE ................... Supporting Routine.
RDFNAME.EXE ................... Supporting Routine.
VIFOL.EXE ..................... Folded spectrum viewer.
TVIEW.EXE ..................... Fitted spectrum.
AUTODIST ...................... Field distribution viewer.
SVIEW ......................... Viewer for spectra fitted via FRANGE.
----------------------------------------------------------------------------I N S T R U C T I O N S:
------------------------I. To start M ssfitting do the following:
At the DOS prompt type: M followed by <RET>. A control menu will displayed
prompting you to press a letter key. As you press the desired letter the program will exute as described on the right hand of the window. This help screen
for example may be viewed by pressing H key.
II. Folding:
-------------To fold a spectrum do the following:
1. At the Main Menu press F key.
2. Edit the raw data file to enter or revise the namelist which have to be
as follows:

&IDENT
SYSTEM=5,
Don't change this line.
FNAME='Replace this text by file name of folded data'
REFNO=1.0,
Reference number
OVFLOW=1,
Number of overflows of the MCA
NC=512
Maximum number of channels of the MCA.
&END
Replace this text by an identification of your data
Examples: The following is a typical raw data file
&IDENT
SYSTEM=5,
FNAME='Ni'
REFNO=1.0,
OVFLOW=1,
NC=512
&END
Fe65Ni35 VEL.=62 R.T B= 0 DATE:20/2/1993 12:35PM
648752
351175
730531
732797
.
.
.
3. Press F to fold the data and follow the instructions of NFOLD program.
4. Press V to view the folded spectrum.
5. Press R to return to the main menu.
III. Calibration:
To calibrate your system do the following:
1. At the main menu press C key.
2. Edit the calibration data file to enter or revise the namelist which have
to be as follows:
&IDENT
SYSTEM=5,
FEIN=105,140
FEOUT=40,204
OVFLOW=1,
NC=512
&END
Replace this text

Don't change this line.

The locations in channel for the innermost peaks.
The locations in channel for the outermost peaks.
Number of overflows of the MCA
Maximum number of channels of the MCA.
by an identification of your data

Example:
&IDENT
SYSTEM=5,
FEIN=105,140
FEOUT=40,204
OVFLOW=1,
NC=512
&END
Fe57 Calibration data VEL.=62 R.T B= 0 DATE:20/2/1993 12:35PM
648752

351175
730531
732797
.
.
.
3. Press C to run the calibration program and follow it's instructions.
4. Press R to return to the main menu.
IV. M ssFitting:
-----------------1. At the main menu press M to run Mossfitting.
2. Edit the parametr file for MOSS program. Different parameter files required
for different types of fitting. Some typical parameter are saved in the
following files:
File
Fitting Description
--------------------------1S.PAR ...............................
1 Singlet (ParaMagnetic)
2S.PAR ...............................
2 Singlets
1Q.PAR ...............................
1 Doublet (Quadrupole)
1M.PAR ...............................
1 Sextet (FerroMagnetic)
2M.PAR ...............................
2 Sextets
1S&1M.PAR ............................ 1 Singlet + 1 Sextet
1S&2M.PAR ............................ 1 Singlet + 2 Sextets
Typical Parameter file have the following format:
&FILES
DFITIN='Replace this by text by raw data file name'
DFITOT='T', PFITOT='T', SHPROT='T', Don't change the contents of this line.
&END
&DATA
REFNO=1.0
Refernce no.
PV=18.0,
Range of scan velocity of the source.
PFIX='GOVG','DEAD'
Quantities between two abstrophes are invariant (Fixed).
WV(1)=3*1,
By this you choose a symmetric sextet.
WVARY=T,
Width variation is True
WIDT(1)=0.3,0.5,0.3
Suggested line withs in mm/sec. Note that the number of
values=no. of components
CS(1)=-0.15,-0.1,0.1 Suggested Center shifts in mm/sec.
GH(1)=3.9,3.5,
Suggested value for Hf paramter. Note that for Hf=330 T,
GH=3.9 .
HEIG=2*1,
ST=0.2,0.3,0.5,
Suggested values for site to site ratio.
The lines below down to &END need not to be changed
SAVE=T, ERR=0.001, NTCYC=100, NDCYC=15,
GOVG=-0.5711, AIG=0.5, AIX=1.5
ZG= 3*0.5, 3*-0.5, ZX=1.5,0.5,-0.5,0.5,-0.5,-1.5
LAST=T,
&END
125.5
Center of folded spectrum for NC=512. For NC=1024 this is = 251.
in that case you have to change NC in the Advanced parameter file
PRESETED.SET .

3. Press M to start fitting and follow the instructions of MOSS.EXE.

4. Press the required letter to Edit, view, print,...etc.