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More
info about MacDiff
Welcome to
MacDiff!
Mac Diff is a programme for
analysis and display of X-ray powder diffractogrammes
on Apple Macintosh platforms. It is designed as a complement
to the XRD applications distributed by Philips or Siemens
and it is equipped with a GUI to facilitate user-friendly
and interactive processing of XRD profiles. It offers
conventional XRD profile-correction processes (e.g.
outliers, smoothing, divergence, alpha2-stripping) and
supports qualtiative and quantitative phase analysis.
Moreover, by its programmable peak analysis (recording
of intensities, peak areas, half widths, etc.) it offers
an automated analysis of entire series of diffractogrammes.
By means of peak fits the contributions of coinciding
lines can be calculated. The user has at his disposal
the capability of continuous measurement checks and
the possibility to perform corrections as well (e.g.
by manual or computed background adaptations). For peak
indication the user has the option to employ variable
peak data sets. High resolution hardcopies of the diffractogrammes
can be produced. The standard single-scan formats (Philips-ADP
or some Siemens-RAW, ASCII) are identified automatically.
Data and plots can be exported to most of the available
table-processing or vector-graphics programmes.
The applications of MacDiff
range from routine analysis in sedimentology, especially
clay minerals, over analysis of X-ray diffractogrammes
of all types of rocks and minerals all the way to phase
analysis of various crystalline substances.
MacDiff is freeware and is
available to everyone free of charge. It may be copied
and distributed without restrictions for non-profit
and non-commercial use. All rights reserved. Usage at
your own risk.
To use MacDiff successfully,
please read the manual available in English
or German
language. If you want to look into changes since last
versions read the MacDiff
Release Notes.
MacDiff was continuously developed
from 1991 to 2001. Since appearance of Mac OS X MacDIff's development was discontinued but it works in the Mac OS Classic mode. For all newer Leopard or Snow Leopard Macs as well as for Windows PCs MacDiff works in the SheepShaver Virtual Machine. |
Contacting the Author:
Dr. Rainer Petschick
Institut für Geowissenschaften
Johann Wolfgang Goethe-Universität Frankfurt
am Main
Altenhöferallee 1
60438 Frankfurt am Main
Germany
Tel. 069-798 40192
e-mail:
Petschick@em.uni-frankfurt.de
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System
requirements (2001)
MacDiff runs on a PowerMacintosh
with 8 MB RAM minimum. However, 16 MB with colour monitor
is recommended. RAM requirements are 3.5 MB minimum.
Hard disk requirements are between 2 and 8 MB memory.
All Mac OS-systems older than
8.0 require the extension 'appearance extension' as
well as the console 'appearance CDEV', which is available
for downloading (name: 'Appearance Lib').
Minimum system:
Power Macintosh or first generation
PPC-PowerBook (PPC 601) with 14" colour monitor (minimum
256 colours), system 7.1.2
Optimal system (required in
particular for profile fit):
Power Macintosh or latest generation
PPC-PowerBook (604c or G3) with 32 MB RAM minimum, 17
to 21" colour monitor (16 mio. colors), system 8.x |
Developement (discontinued 2000)
The software was developed in the Visual Interactive
Programming BASIC-environment of Mainstay.
The code was converted to ANSI-C and compiled by
CodeWarrior (today: Freescale).
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Input
- Output
You can read the following diffractogram
files:
- Philips ".RD" - APD- VMS-Format
- Philips ".RD" - APD- MSDOS-Format
- Philips APD - ASCII-MSDOS-Format (APD-"View Scan")
- Philips APD - APD-UDF-ASCII-MSDOS-Format
- Siemens ".RAW" - RAW2-MSDOS-Format
- Siemens ".RAW" - New RAW1 format
- Siemens ".RAW" - Old RAW format
- ".MDI" ASCII Text Format
- ".OUT" ASCII Text Format
- Sietronic ".CPI" ASCII Text Format
- Lauterjung ASCII Text format
- SCINTAG 2000 ASCIII Format
File must be a single-scan.
No more than 16768 single counts in one file.
Count limit: 1.000.000 (Counts higher than 1.000.000
will decreased to 10%).
You can read and write:
- Philips APD - APD-UDF-ASCII-MSDOS-Format
- ".MDI" ASCII Text Format
- Sietronic ".CPI" ASCII Text Format
- MacXFit of H.Stanjek, Freising, TU Munich
- Text-ASCII (angle, count [, base] - several delimiters
possible)
- In MacDiff's native compact and fastest DIFF format
(Version 2/3 or 4)
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List
of some features:
- Up to ten colored diffractograms
in undependend windows.
- Up to seven multiple diffraction
profiles showing in one diagram.
- Max. 16.383 single data and
max. 1.000.000 counts per step in one diagram.
- Changable diffractogram size.
- Changable line color, size
and type.
- Changable axis types (normal,
inverted, square root, logarithmical, d-spacings).
- Button bar for 20 frequently
used program functions.
- Base line removing.
- Optimized fast drawing and
screen redraw.
- Mouse-sensitive zooming and
scrolling.
- Cursor sensitive angle-,
d-value and count display.
- High quality print, colored
(if desired), optional logo.
- Prints and saves lists of
counts and and of all measuring data.
- Import of "good-old" analog
diffractogram plots via scanner or by digitizing table.
- Import of scans of Debye-Scherrer-
or Guinier camera photos
- Export vector graphics via
clipboard or by PICT-files, also in 5 x resolution
- Editable counts and base
values.
- Optional Debye-Scherrer like
film image.
- single or multi peak correction
- Outlier and divergence filter,
smoothing counts, alpha-2 stripping.
- Simple math manipulations.
- Changing K-Alpha-type on
the fly.
- Recalculation to other wavelengths/K-Alpha
type and step size.
- Determination of mean diffractograms
from several profiles.
- Diffractogram subtraction.
- Base line determination (automatically
or by drawable by user).
- Base line can be saved (MacDiff
file format).
- Peak analysis by double click:
d-value, counts, area, and FWHM as standard.
- Peak Fitting (Gauss, div.
Lorentz, Pearson VII, and Pseudo Voigt) - single fit
or multi fit of up to 7 peaks.
- Peak search routine.
- Labels of single peaks.
- About 30 optional peak parameter
(i.e. half areas, integral widths).
- Implemented JCPDS (PDF)-like
database interface.
- PDF-data can be imported.
- Generates artificial (synthetical)
diffractograms from database.
- Comes with databases holding
about 22.000 peaks of more than 500 rock-forming minerals.
- Links a given peak to a peak
database index for identifying.
- Peak identify routine, also
linkable to a peak database.
- User defined analysis program
to evaluate data of up to 32 peaks.
- Semi-automatic processing
by file sessions (batches of up to 255 profiles).
- Reports of all peak data,
exporting as TEXT-files.
- Automatic FWHM calibration
of five different peaks.
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Example
screenshots:
Analysis of Quartz (101) peak
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Peak database dialog (shown here: Alpha Quartz)
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Comparison of the measured profile with line graphs
showing reflections as available in a peak database.
Here: Detection of corundum.
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Peak fit analysis of kaolinite
(1) and chlorite (2) (3.58 and 3.54Å). Profile
function (blue): Pseudo Voigt (split). Black: curve
in common (envelope), grey: residuum curve, red: original
data. Background removed. The peak data display shows
the data of the 2nd peak (chlorite)
More
about Peak fit analysis...
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Three self updating windows
for displaying and handling peak identify, report data
and advanced peak info listings. They can be opened
constantly.
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Acknowledgements:
- For all their critical remarks
and for their help to improve MacDiff, many thanks
to ...
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- H. Bartl (Frankfurt, Germany)
- H. Barwood (Bloomington,
Indiana, U.S.A.)
- M. Beck (Golden, Colorado,
U.S.A.)
- B. Bookhagen (Potsdam, Germany)
- G. Bormann (Kiel, Germany)
- J. Brugger (Basel, Switzerland)
- F. Butt (Oslo, Norway)
- B. Diekmann (Potsdam, Germany)
- P. Covert (Seattle, U.S.A.)
- H. Cynn (Livermore, California,
U.S.A.)
- W. Ehrmann (Halle, Germany)
- R. Ferrell (Oslo, Norway
/ Zürich, Switzerland / Batton Rouge, U.S.A.)
- R. Ferreiro Mählmann
(Basel, Switzerland)
- F. Gingele (Warnemünde,
Germany)
- F. Girod (Lausanne, Switzerland)
- H. Gorter (Eindhoven, The
Netherlands)
- H. Grobe (Bremerhaven, Germany)
- U. Gronemann (BEB, Germany)
- E. Hagen (Norway)
- B. Haskell (Minneapolis,
Minnesota, U.S.A.)
- M. Herzog (Kronberg, Germany)
- A. Kern (Frankfurt, Germany)
- H. Kollmann (Frankfurt, Germany)
- H. Krumm (Frankfurt, Germany)
- S. Krumm (Erlangen, Germany)
- G. Kuhn (Bremerhaven, Germany)
- V. Kuhnert (Giessen, Germany)
- H. LaViers (acpub.duke.edu)
- Chao R. Li (U.S.A.)
- B. Luckie (Mainstay, U.S.A.)
- A. Menegatti (Zürich,
Switzerland)
- L. Morse (Pocatello, Idaho,
U.S.A.)
- J. Nakken (Oslo, Norway)
- R. Oberhänsli (Potsdam,
Germany)
- H. Ortner (Innsbruck, Austria)
- T. Pletsch (Hanover, Germany)
- J. Rössler (Frankfurt,
Germany)
- Thanks for your 'peak fit'
help and for your manual translation, Jochen!
- M. Schrier (Berkeley, U.S.A.)
- M. Schmith (Wilmington, North
Carolina, U.S.A.)
- H. Stanjek (Munich, Germany)
- I. Steyer (Frankfurt, Germany)
- M. Sturzenegger (Switzerland)
- P. Talbot (Queensland, Australia)
- M. Underwood (Columbia, Missouri,
U.S.A.)
- C. Vogt (Bremen, Germany)
- L. Warr (Heidelberg, Germany)
- J. Warren (Mitcham, Australia)
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- ... and to all other users
of MacDiff!
Rainer Petschick
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