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
[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)]
- XFIT has no facility to print via the Standard Windows Printer
Dialogue. Such is life and you could always ask for your money back.
- However, to get a decent "quicky" output;
- maximize XFIT get the view you wish to get a hard copy of
- press the Print Screen key to copy the view into the
clipboard.
- open a program such as MS Word, and edit paste the
screen capture into work. (Wow - shades of DOS!)
If the picture looks grainy on the screen, don't panic
as it will print out quite nicely.
- To get a publication quality output (more work);
- View the area of the plot that you wish to have outputted
for the ASCII column data. In this case, the data would
go from ~28.273 to ~126.70.
- From the top menu bar, use the Edit, Create xy Report. And
save the file when prompted.
- Then import the files into your favourate spreadsheet
graphing program (the difference can be calculated in the
spreadsheet) for graphing.
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