i Camillo,

anbei die Definition des BearTex-Formats als Ausschnitt aus dessen
Help-File. Meine Rohdaten fallen als Meßdaten eines regulären 5° x 5°-
Netzes an und werden nicht interpoliert. Neutronendaten sind schon
background-korrigiert, deshalb wird dieser Schritt ausgelassen.
Das Beartex-Paket ist eine Sammlung von Fortran-Programmen aus uralter
DOS-Zeit, dem nun ein Window-Hut übergestülpt wurde. Vorallem an den
völlig starren (ehemals Lochkartenorientierten) Eingabeformat ist das zu
merken. Ich habe deshalb ein eigenes Konvertierungsprogramm, das Daten,
die in einen mehr oder weniger freiem Format anfallen, in das
Berkeley-Format umwandelt. Ein unbestreitbarer Vorteil des
Berkeley-Format ist, daß es einen gewissen Standard definiert.
Im folgenden nun die Definition. Beim Ausdruck/Ansehen der Beispieldaten
sollte die Breite des Bild-/Druckerfenster mindestens 80 Spalten betragen.

Gruß

Kurt


------------------------------------------------------------------------

Different data formats are used in texture analysis. The POPLA package
has made an admirable attempt to standardize them with the so-called
"old Berkeley" format. Most of the BEARTEX programs will accept this
format if data are imported from other systems. However the standard for
BEARTEX is a slightly modified version which became necessary because of
application to low crystal symmetry materials (with larger than 1-digit
and negative hkl's) and a more general choice of pole figure ranges.
Unfortunately, for lack of space in the monitor screen, in the display
only 3 digits for hkl are displayed in POXX and CONT; be careful !!
(e.g. 1 2 12 appears as 1 2 2). This "new Berkeley" format has two
additional lines preceeding each data set and the old two lines are
slightly modified.

This ASCII file is used to enter experimental pole figures and for
graphic representation of pole figures and ODs (e.g. with programs POXX
and CONT).  The structure is a set of integer density values with
increasing pole distance () and azimuth (
). The density values may be normalized or not normalized, depending on
the application. The optimal use of the 4 digits (largest number is
9999) can be achieved with a zoom factor. For typical normalized texture
data the m.r.d (multiples of a random distribution) value is multiplied
by 100. The minimum increment is 5°. Most programs (such as WIMV)
require 5° increments for input of experimental pole figures, either
measured or interpolated.

Below is the first pole figure on the file DEMO1.XPa contained in your
installation. It is an "experimental pole figure" in 5° increments on
() and (), extending in pole distance from 0 to 90° and azimuth from 0
to 355°.

line 1: title, code # (in column 80) to indicate new Berkeley format
(a79,a1)

line 2: free for user (Used in BEARTEX only in CORR, in the example H is
a code for the goniometer, 6 and 12 are values for background)

line 3: free for user.

line 4-5: Reserved for future control parameters (Not used at the moment).

line 6: lattice parameters (or fractions), crystal and sample symmetry
codes (6f10.2,2i5)

line 7: control parameters: h,k,l,  min,  max,  increment (pole
distance),  min,  max,  increment (azimuth), iw, jw (1 if measured at
corners of cell, 0 if in center, 1 is standard), 1, 2, 3 are sample
orientation codes used in POPLA, not used in BEARTEX. (1x,3i3,6f5.1,2i2,3i2)
        For non-programmers: 1 space, 3 fields of 3-digit integers, 6 fields of
5-digit integers, 2 fields of 2-digit integers, 3 fields of 2-digit integers
line 8 etc.: density data in integers. For triclinic pole figure 19
rings at 72  values arranged in 4 lines per ring (4(1x,18i4,/). For
orthorhombic pole figures 19 rings at 19 values arranged in a single
line (1x,19i4) 1 space, 19 fields of 4-digit integers

last line: blank. It is used to recognize the end of the data set and
therefore required. Some editors delete blank lines at the end of the
document and you must add it again! Another data set of identical
structure may follow the first one.

Test ODF S cubic-orthorhombic b=17, Gauss Phon=0.2
       #

    1.0000    1.0000    1.0000   90.0000   90.0000   90.0000    7    3

   1  0  0   .0 90.0  5.0   .0360.0  5.0 1 1

   20  20  20  20  20  20  20  20  20  20  20  20  20  20  20  20  20  20

   20  20  20  20  20  20  20  20  20  20  20  20  20  20  20  20  20  20