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CCP14

Tutorials and Examples

Peak Fitting using Xfit-Koalariet (Coelho and Cheary) for Win95/NT

Printing and Publication Quality Output

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [XFIT Tutorial Index]

[The reference to use for XFIT or FOURYA in any resulting publications is: Cheary, R. W. & Coelho, A. A. (1996). Programs XFIT and FOURYA, deposited in CCP14 Powder Diffraction Library, Engineering and Physical Sciences Research Council, Daresbury Laboratory, Warrington, England. (http://www.ccp14.ac.uk/tutorial/xfit-95/xfit.htm)]

The file normally looks like the following:

00003.dat                 00003.dat                 
x            Yobs         x            Ycalc        
28.2421      21.0000      28.2421      13.8928      
28.2763      19.0000      28.2763      13.9162      
28.3105      19.0000      28.3105      13.9396      
28.3447      14.0000      28.3447      13.9629      
28.3789      17.0000      28.3789      13.9862      
28.4131      15.0000      28.4131      14.0094      
28.4473      24.0000      28.4473      14.0326      
28.4815      19.0000      28.4815      14.0557      
28.5157      16.0000      28.5157      14.0787      
28.5499      11.0000      28.5499      14.1017      
28.5842      13.0000      28.5842      14.1246      
28.6184      18.0000      28.6184      14.1475      
28.6526      20.0000      28.6526      14.1703      
28.6868      23.0000      28.6868      14.1930      
28.7210      16.0000      28.7210      14.2157      
28.7552      20.0000      28.7552      14.2383      
28.7894      23.0000      28.7894      14.2608      
28.8236      16.0000      28.8236      14.2833      
28.8578      12.0000      28.8578      14.3058      
28.8920      17.0000      28.8920      14.3281      
28.9262      20.0000      28.9262      14.3504      
28.9604      20.0000      28.9604      14.3727      
28.9947      23.0000      28.9947      14.3948      
29.0289      16.0000      29.0289      14.4169      
29.0631      17.0000      29.0631      14.4390      
29.0973      14.0000      29.0973      14.4609      
29.1315      14.0000      29.1315      14.4829      
29.1657      11.0000      29.1657      14.5047      
29.1999      12.0000      29.1999      14.5265      
29.2341      11.0000      29.2341      14.5482      
29.2683      14.0000      29.2683      14.5698      
29.3025      17.0000      29.3025      14.5914      
29.3367      14.0000      29.3367      14.6129      
29.3709      11.0000      29.3709      14.6343      
29.4051      21.0000      29.4051      14.6557      
29.4394      21.0000      29.4394      14.6770      
29.4736      7.0000       29.4736      14.6982      
29.5078      14.0000      29.5078      14.7193      
29.5420      14.0000      29.5420      14.7404      
29.5762      17.0000      29.5762      14.7614      
29.6104      13.0000      29.6104      14.7823      
29.6446      13.0000      29.6446      14.8032      
29.6788      20.0000      29.6788      14.8240      
29.7130      13.0000      29.7130      14.8447      
.
.
.
.
126.1457     1.0000       126.1457     1.0031       
126.1799     1.0000       126.1799     1.0030       
126.2141     1.0000       126.2141     1.0030       
126.2483     1.0000       126.2483     1.0030       
126.2825     1.0000       126.2825     1.0029       
126.3167     1.0000       126.3167     1.0029       
126.3509     1.0000       126.3509     1.0029       
126.3851     1.0000       126.3851     1.0029       
126.4193     1.0000       126.4193     1.0028       
126.4535     1.0000       126.4535     1.0028       
126.4877     1.0000       126.4877     1.0028       
126.5219     1.0000       126.5219     1.0027       
126.5562     1.0000       126.5562     1.0027       
126.5904     1.0000       126.5904     1.0027       
126.6246     1.0000       126.6246     1.0027       
126.6588     1.0000       126.6588     1.0026       
126.6930     1.0000       126.6930     1.0026       
126.7272     1.0000       126.7272     1.0026       
126.7614     1.0000       126.7614     1.0026       


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