-----------PATTERN SPECIFIC ---------------- | |
limits | set powder pattern limits and step size |
wavlen | set wavelength and polarization ratio |
zero | set zero point corrections |
backgr | specify parameters for background function |
peakf | define a learned (experimental) peak shape function |
peaksh | enter experimental peak shape values |
excltt | exclude zones of the powder pattern |
-----------PHASE SPECIFIC ---------------- | |
phase | specify id and scale factor of a new phase |
peak | select peak shape function for this phase |
hwidth | specify halfwidth parameters |
pasymm | specify asymmetry parameters |
orient | specify preferred orientation parameters |
select | select subset of atoms in bdf |
-----------PAGE LAYOUT ---------------- | |
*layout | Set page size orientation and margins |
-----------BLOCK SPECIFIC ---------------- | |
block | Set block position on multi graph page |
blkbrd | Set block border attributes |
graph | Set style of graph in this block |
*exclr | Graphical treatment of exclusion regions |
hklbar | Marker attributes for reflection positions |
axis | Set attributes for axes |
axslab | Label axes for graph |
*tickmk | Control tick mark quantities |
grid | Control background grid lines |
gtitle | Control attributes of title text |
titext | Set Title for this graph block |
*legend | Control attributes of the graph legend |
trace | Set attributes of traces to display |
trctxt | set trace labels for this graph block |
POWGEN | Option | Code | Arg | Action | Default |
graphical interface mode | ng | no graphical interface | yes | ||
input RIETVD powder file | pot | reads .pot file | .pot | ||
input ADDPAT powder file | pat | reads .pat file | .pot | ||
auxilliary powder file | ap | xxx | reads auxilliary powder file | none | |
apply dispersion in calc | nd | No application dispersion | yes | ||
peak span in halfwidths | ps | n | reflection contribution width | 3;n=12 | |
file adjusted params | pc | create .pch file(s) | no | ||
Points to skip in powder | sk | n | step size of n powder points | 1 | |
relative interface dimension [a] | sc | n | Set window to n% of screen | 0.9 | |
Set colormap parameters | cm | b s | 0<brightness<1,0<saturation<1 | .5 1. | |
arrangement of multiple graphs | ho | Horizontally optimised | li | ||
vo | vertically optimised | ||||
li | literal placement | ||||
as | as specified | ||||
Notes: a. See also the xtalrc file in the XTALHOME directory. It can be coppied to the $HOME/.xtalrc file and modified on a per user basis. |
limits | 1 | minimum two theta of pattern data processed | |
2 | maximum two theta of pattern data processed | ||
3 | two theta step size of pattern data processed |
wavlen | 1 | Wavelength alpha1 | 1.540598 |
2 | wavelength alpha2 | 0.0 | |
3 | alpha2/alpha1 intensity ratio | 0.0 | |
4 | polarisation ratio | .915 | |
5 | radiation type (xray ,electron, neutron or synchr) | xray | |
6 | fixed divergence slit (0/1=fix/var) | fixed | |
7 | data lp corrected (0/1=no/yes) | no |
zero | 1-2 | two theta zero correction factors z1 and z2in the correction expression2theta(corrected) = 2theta(measured) + z1 + z2*2theta |
phase | 1 | compound ID of phase (to identify archive files) | current compid |
2 | scale factor for this phase | 1.0 |
peak | 1 | one of the following to define the peak shape | |
v for pseudo-Voigt (x = variable) | |||
g for Gaussian (x=1) | |||
l for Lorentzian (x=0) | |||
n=number of learned peak shape function (defined with peakf) | v | ||
2 | peak span value (in halfwidths) for this shape function | 12. | |
3 | mixing parameter z in the pseudo-Voigt function: | 1.0 | |
f = z * gaussian part + (1-z) * lorentzian part |
hwidth | 1-3 | halfwidth parameters u,v,w used in the expression | |
half width = 0.5*sqrt(u + v*tan(theta) + w*(tan(theta))**2) |
block [a] [b] | 1 | number 1 ...16 | |
2 | nodisp? | ||
3 | block x grid position (on 9x9) | 5 | |
4 | block y grid position (on 9x9) | 5 | |
5 | graph x origin position | ||
6 | graph y origin position | ||
7 | block width | ||
8 | block height | ||
9 | block aspect ratio | ||
Notes: a. should be the first line of a block specific instructions b. If the number is absent on the first block line, all control lines up till the next block line are applied to all blocks |
blkbrd | 1 | block border colour | |
2 | block border line width | ||
3 | block border line style | ||
4 | dash line style dash length | ||
5 | dash line style break length |
graph | 1 | specify type of graph for this block [a] | lin | linear | |
log | logarithmic | ||||
sqrt | square root | ||||
2 | x origin in block | ||||
3 | y origin in block | ||||
4 | width of graph | ||||
5 | height of graph | ||||
6 | aspect ratio of graph | ||||
7 | boxed | ||||
Notes: a. only lin is supported |
exclr [a] | 1 | phaseid | |
2 | line | ||
3 | artificial value to set y in this exclusion region | ||
Notes: a. This command line option is currently not supported |
hklbar [a] | 1 | display hkl reflection position markers | |
2-3 | min,max 2theta of markers to display | ||
4-5 | min,max intensity of markers to display | ||
Notes: a. This command line option is currently not supported but is available from within the graphics interface |
axis | 1 | x or y | |
2-3 | min, max values to plot for graph | ||
4 | axstop/axisBOT | ||
5 | axlabelsize | ||
6 | axlabxpos | ||
7 | axlabypos | ||
8 | axlabangl | ||
9 | ticlab top/bot/tab | ||
10 | decimal places in text | ||
11 | text centered on digit | ||
12 | displacement of label by x | ||
13 | displacement of label by y | ||
14 | ticlabsize |
tickmk [a] | 1 | x or y | |
2 | size of tick | ||
3 | length | ||
4 | line width | ||
5 | smallest spacing | ||
Notes: a. This command line option is currently not supported |
grid | 1 | display x axis grid lines yes / no | yes |
2 | display y axis grid lines yes / no | yes | |
3 | X axis frac | ||
4 | Y axis frac | ||
5 | Num horizontal grid lines | ||
6 | NUM vertical grid lines | ||
7 | colour | ||
8 | line style |
gtitle | 1 | x origin of graph title | |
2 | y origin of graph title | ||
3 | angle of graph title text | ||
4 | size of graph title text | ||
5 | colour of graph title text |
legend [a] | 1 | display yes / no | yes |
2 | boxed | ||
3 | shadowed | ||
4 | x orig of legend box | ||
5 | y orig of legend box | ||
6 | width of legend box | ||
7 | height of legend box | ||
8 | aspect ratio of legend box | ||
9 | text size of legend | ||
Notes: a. This command line option is currently not supported |
trace | 1 | trace identifier [a] | |
2 | trace color | ||
3 | x displacment of trace on graph | ||
4 | y displacement of trace on graph | ||
5 | auxilliary trace scale factor, for plotting | ||
6 | divide trace intensity by sigma | ||
7 | line style | ||
7 | line dash length | ||
8 | line break length | ||
9 | marker style | ||
10 | apply artificial level for low angle null data (yes/no) | ||
11 | y value to set low angle null data | ||
12 | apply artificial level for high angle null data (yes/no) | ||
13 | y value to set high angle null data | ||
14 | Y value to setfor intermediate null data | ||
Notes: a. valid trace identifiers are TTH OBS SIG BAK CAL DEL and for up to ten phases PH1 PH2 PH3 PH4 PH5 PH6 PH7 PH8 PH9 PH0 |