Contents of the Distribution Package

The files in the distribution package for DBWS-9807a can be acommodated on two 3-1/2 inch 1.44 MB diskettes written under MSDOS.

The distribution package consists of this User's Guide plus the following files on in six sub directories, all written under MSDOS.

1. In subdirector FOR:

DBWS-9807a.FOR (the DBWS source code)
PARAM.INC
DOSXMSF.EXE

The file, PARAM.INC, is needed at compilation time. It conveys the user's choice of the sizes for the five most-likely-to-be-redimensioned arrays.

DOSXMSF.EXE must be either in the path or in the same directory with the executable version of DBWS that is running.

2. In subdirectory FTEST there are files for a test case with fluorapatite. This is a single phase case with a moderate quantity of lines (Bragg reflection profiles).

FDATA - the observed-data file
FIN - the ICF (set up for refining 31 parameters) as rewritten after the last cycle run.
PLFAP - the PLOTINFO file needed by SPLOT and DMPLOT, renamed for saving.
PLFAP.BIN - the binary file needed by DMPLOT to display the Miller indices and the calculated patterns for the separate phases.
FOUT - the main output file from a run based on FIN
README - Comments about this example.

3. In subdirectory QTEST: files for a two-phase case: quartz with alumina as a minor impurity:

QOUT - the main output file from a run based on QIN
PLQ - the PLOTINFO file, renamed for saving, needed by DMPLOT.
PLQ.BIN - the binary file needed by DMPLOT to display the indices and separate phase patterns
QDATA - the observed-data file
QIN - the Input Control File (ICF) as rewritten at the end of the last cycle.

4. In the subdirectory QPATEST there are the files for a somewhat more advanced case involving quantitative phase analysis: 3 phases, one of which is the internal standard, plus an amorphous component. To be determined are the wt% present of two phases and of the amorphous component.

QPADATA - the observed data (3 crystalline phases plus an amorphous component)
QPA .IN - the input control file (ICF)
QPA.OUT
‘TAPE11" - whole-pattern observed data for an amorphous silica sample
PLQPA - thePLOTINFO file for this case (note how well the amorphous component is fit)
PLQPA.BIN

5. In subdirectory DMPLOT: files for using this proprietary program offered as a SHAREWARE item by Dr..H Marciniak, of Warsaw. His address is shown in one of the early screens when you use the program

DMPLOT.CFG - Configuration for DMPLOT
DMPLOT.EXE (Version 3.48)
DMPLOT.TXT - Notes on DMPLOT

6. In the subdirectory XCUTABLE there are two DOS-executable versions of DBWS-9807a. They differ only in the choices of dimensions of the five arrays listed in PARAM.INC. See the accompanying READ.ME file for details.

7. The current distribution program includes another PC-executable program named DB2dI. It is provided by the International Center for Diffraction Data (ICDD). The ICDD hope you will use it to provide good patterns properly formatted for acceptance in their PDF (Powder Diffraction File.) See §2b of Appendix A (p. 54) for further information about this program.