A beta version is available for microsoft windows platforms: PRODD_03_08_19.ZIP, contains an executable and example. The program now includes an experimental DILS mode (Damped Intensity Least Squares). Simply use an "L REFI DILS" card and cross your fingers. Note also that constant wavelength peak shapes now use SIGX and GAMX labels on cards instead of SIGM and GAMM to avoid internal conflicts. The main update since any previous versions is the way memory is managed - please let me know if you have any problems
Some updated peak centre functions are available which allow refinement of unit cell
parameters for each diffraction pattern. This is particularly useful when attempting
to use anisotropic thermal expansion to extract intensities for multiple datasets.
Nowadays peak centre functions are as follows:
CN : TYPE 1 - as before
CN : TYPE 2 - allows refinement of wavelength via "PKCN 1"
CN : TYPE 3 - allows refinement of wavelength and cell parameters for the pattern.
Use only for single phase with an "L PKCN CELL a b c alpha beta gamma" card. The variables
will be PKCN 1 for wavelength and PKCN 2,3,4,5,6,7 for A* to F*. (Reciprocal cell metric tensor
elements).
TF : TYPE 1 - as before
TF : TYPE 2 - allows refinement of cell parameters as PKCN's 3-9. Needs a card "L PKCN PARS x y"
which is much like the old card (add the keyword PARS) and a card "L PKCN CELL a b c alpha beta gamma"
for variables PKCN 3,4,5,6,7,8 for A* to F*.
(Previous versions PRODD_02_03_06.ZIP PRODD_01_04_02.ZIP and PRODD_00_05_11.ZIP). Apart from a few bug fixes the main change is the addition of Lebail fits for single phase samples (card L REFI LEBI specifies this option). You can check it works by running the program and using the supplied files (respond 735 for filenames and 0 for peak limits). The zip file should contain an executable and the test data set. Source code is available from the authors (Jon Wright and Bruce Forsyth). A vax/alpha version was once installed at the ISIS facility, Rutherford Appleton Lboratories (axplib$disk:[ccsl.prod_00_05_11.vax]prodd.exe). Please get in touch if you are interested in helping to port to other platforms.
There were some outstanding issues with previous versions, which we aim to resolve in the future. See KNOWNBUGS.TXT. Please note that this is a beta version and the list of known bugs is expected to grow with further testing. No warranty is implied etc etc.
A draft manual is available as a zipped word document, or there is an html version, as generated by word. Please note that both are draft versions, and the formatting in the latter needs some attention.
More information about CCSL can be found at the ILL, http://www.ill.fr/dif/ccsl/index.html, the manual for the original profile refinement programs is also required reading before attempting to use PRODD. See http://www.isis.rl.ac.uk/Crystallography/documentation/CCSLguide.htm.
Any problems or suggestions please send me an email at wright (at) esrf dot fr . All feedback is greatly appreciated.