THIS IS A LIST OF KNOWN PROBLEMS THAT WILL BE ADDRESSED ASAP ! CRYSTAL DATA: Search on Mineral name does not work. Ability to read file of *.CNUMS does not work. We want to add options for search/selecting on 1) author CDROM-PDF-2: Angles that compute from the d's , given a lambda like Cr (2.29), that are > 180 degrees blow the system. PEAK: The subtraction of the background in the peak finding program has not yet been implemented. We should address this by extracting the background routine from quant, and putting it as a separate program in the peakfinding choice on the menu. The general question of *.ASC, *.BKG, and *.UNK must be addressed. We will continue to use *.ASC for a 70 degree ASCII file with a step of 0.02 degrees 2 theta MAST: The ARGONNE program should give output of delta 2 theta as well as delta sine squared theta. POLYMER: The code inserted for debugging giving the + and - areas, obtained after subtraction of the amorphous area, does not vary as it should. The final results vary, but the debug statement must be printing the wrong things. DISPLAY-PDF: Comments box for users' comments. Should deleted and active patterns be available with mineral name: ie bassenite by mineral name gives one while by formula, it gives 4. We would like to be able to use the CDROM-PDF-2 to obtain D-I sets (currently) we are limited to access using the GG codes. EDD: Should we print d-spacing. CARR has sent a new output format to us, we should be able to code this with the new formats quite soon. Could we generate (on graphics terminal) a diffraction pattern of 'spots'. PRINCE: Write a interface from Ted Prince's output into DINT10 or other bond angle, bond length routines Change the procedure so that you are asked "Do you have a command file (y/n) Then open the file 'old' or 'new'. write only data to it--not the $ASSIGN as now. Then in the REFINE program, have a single request "what is your filename"--then open all of those files (from the $ ASSIGNs) from within REFINE with default file extensions to avoid the $ASSIGNs Maybe change where the edtit is ....since someone smart could edit the 'command' file. Remember the command file need not be a *.COM file....but it is a file with command to the reitveld program (really a data file!) WILES AND YOUNG We should read the final *.WIL and create a file for POWDER. Therefore we should be able to get these files into DINT10 and NAMOD. The new code (which takes a new format) code of BDW3.2S has been placed in [zeolite.young]. This code replaces both the codes in [zeolite.wiles] and [zeolite.rolla] ALL OF XRD The terminal can be reset to the 'wrong default colors' after completion of 'certain graphics'. SEARCH/MATCH ROUTINES After the GG format is released, then access to all 'setup codes', must be recompiled after changes to GGREAD are completed. RIETVELD Set up code for multiphase refinement. Get Baerlocher code operational. The frontend from Phil Rudolf has been loaded in the [ZEOLITE] directory for installation, when we find time. QUANT We must edit the access routines to allow the various *QUANT.BIN databases to be read from user directories. At present for ZEOLITE databases, the default directory must be [ZEOLITE.DATA]. TOBY: We to include in XRDPREP an option to write a d-i file for reading into 'powder suite' SEARCH. The [TOBY...] codes should be moved to [xrd.toby...] when we are satified that we understand them, both operationallly and how to modify them. News should be made available to the users as to the graphics within this. PARTICLE SIZE: Particle size distributions from XRD Journal of Catalysis--113 pages 129-143 (1988) and Journal of Catalysis 52 page 310-320 (1978) WARREN-AVERBACH Convert any *.ASC file (or a Rietveld file) into a *.AWA file. Start with various step sizes, until the 'right number of points are obtained' then use that step size in Cohen and Roof.