Rietquan 2.3 program by L. Lutterotti, 1999 - All right reserved - Important: save this file, is not included in the Rietquan zip archive. Rietq23.zip is the zip archive for the installation of the Rietquan 2.3 program. Unzip the archive; the directory swsetup will be created containing all the files needed for the installation. Enter the swsetup folder and start the setup.exe program. It will guide you trough the installation. The first time you start rietquan be sure to read and follow the tutorial in the online help. NOTE: rietquan 2.9 is only for win95/NT; this package is complete but it works as a demo program. Tutorial and sample files can be used, but if you start a different analysis during computation it will ask for a personalized password obtainable by agreement with the author for registration; for academic or public research centers the registration is free. Last update: April 06, 1999. If you will find any bug or problem send it to: Luca.Lutterotti@ing.unitn.it Know issues: - Win NT: changing the orientation of the paper on the printer setup has no effect on the printing. Use or change the default setting of the printer in the printers folder to effectively change the orientation. - Some installation problems connected to registration of system files coming from the package has been reported. At the present I have to few element to trace the problem. The installation package has been created by the standard wizard program of VB 5.0. Report the problem with detail of system version etc. - If you encounter a problem in the loading of the program after a crash or similar try to open the rq-pref.dat file and put a string like "" instead of the path reported there in the second line. This file contain the last path used by the program to read data or analysis. In certain case the path can be invalid if you have used one that not longer exist. - On importing phases space groups ending with Z or S are not translated correctly to the standard H-M convention. Anyway a dialog window will report any conversion made by the program on space groups and you can check the correcteness. The problem will be fixed in a next release. Tips: if you need to install again or update the program by a new installation, but you want to preserve your setting for the program (password, database, default parameters etc.) before the installation make a backup of the following files that you need to restore after the installation overwriting the new installed ones: - rq-pref.dat - default.ins - license - new.pdb Disclaimer: the author is not responsible for damage or bad use made by the user with the rietquan program. Updates: 6 April 1999 - Rietquan version 2.3 ---------------------------------- Bugs correction release (only in the distribution package). The two files new.pin and new.pdb where out of sinc at a certain point and only in the last package; in the new.pin the albite high line has been cutted. To see if your program has the problem check out in new.pin and new.pdb if the albite high is present in both files. If not just cut the albite high line. 6 April 1999 - Rietquan version 2.3 ---------------------------------- - The installer now is in english. - The line broadening routine has changed from the Lutterotti method for computing peak profiles from crystallite microstrain to the method proposed by Delhez, De Keiser, Mittemeijer in the Rietveld book. There is not a big change in the results, but the routine is more stable and you will not have any more overflow errors. If you load an old Rietquan 2.2 par file you will note that the peak broadening for the same crystallite and microstrain values is a little bit different (check the residuals). - The *.pin file index for the database is no longer needed. Only the *.pdb is necessary. - Found a workaround for some registration problems reported (negative program ID). - Added a feature that allow to analyse spectra where the beam falls out of the sample at low angle. You need to put the correct dimension of the sample in the data option panel as long as the the correct incident slit dimension and goniometer radius in the instrument options panel. 17 February 1998 - Rietquan version 2.2 ---------------------------------- Bugs correction release. - The import CIF now works better; more phases are loaded if present in the CIF file parsed. Space group conversion has been refined. 04 February 1998 - Rietquan version 2.2 ---------------------------------- - The import CIF button has been added to allow the reading of CIF files exported in CIF format by the Retrieve software of the ICSD database. This button can be used to import one phase at time. The open analysis menu item permits to import a file containing more than one phase (again exported by Retrieve). It has not n\been tested on CIF files exported by other programs. - For better compatibility with existent software the atom quantity has been substituted by the more usual site occupancy. The Rietquan database has been updated for this and the program convert the atom quantity of old analysis files (Rietquan 2.1 or older) to the site occupancy. For the Rietquan internal database the author don't guarantee the correcteness of crystal structure entries there. If you find something wrong please send the bug (also for the program) to the e-mail address of the author: Luca.Lutterotti@ing.unitn.it I strongly recommend the use of the ICSD database for inorganic structures or the metal database for metals. - Equivalence of some CIF entries has been implemented. See the equiv.cif file for details. If you want to specify other equivalences (only expert users) just add CIF entries to this file. For example if another entry like _chemical_name_systematic is added has equal to _pd_phase_name the program will treat the _chemical_name_systematic like the _pd_phase_name when reading or importing a CIF or analysis file. The equivalence can be done by adding the line: _chemical_name_systematic, _pd_phase_name at the end of the file and increasing by one the counter index in the first line. The second CIF entry (in our example: _pd_phase_name) must be one contained in the file Cifdic.bi of the Rietquan package. - The installation package has been divided in 3 disk directories (less than 1.44 Mb each) to store on floppies. 13 November 1997 - Rietquan version 2.1 --------------------------------------- - Bug fixed version. The program has been compiled by VB 5.0 and some bugs connected to printing and version 4.0 of VB has been corrected. ------------------------------------------------------------------------------- No trace reported for previous Rietquan versions.