Eval15 Commands

You may also visit the explanation of internal commands: aliases, flowcontrol etc.

List of commands

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

abort

Syntax: abort state
Default: abort off
Actual: show misc
If set to on, eval15 will abort after warnings.

adcnoise

Syntax: adcnoise f.
Default: adcnoise 1.0.
Actual: show detector
The background noise (in fotons) bgnoise for each pixel is defined as f/gain. bgnoise is used to determine the sigma of individial pixels. The formula's are:
f should be a positive number. If a negative number or zero is specified, a value of 0.01 will be used.
adcnoise sets ignore adcnoise on.
Related commands: addconstant, gain.

addconstant

Syntax: addconstant f.
Default: addconstant 0.0.
Actual: show detector
Adds the value of f to every observed pixel just after reading the boxdata.
Related commands: adcnoise, gain.

ambiguity

Syntax: ambiguity state.
Default: ambiguity off.
Actual: show cell
If on, the orientation matrix and reflection indices from a boxfile wil be transformed using :
  0 1 0
  1 0 0
  0 0 1

Notes:

animo

Syntax: animo f.
Default: animo 0.
Actual: show mosaic
Sets the anisotropic mosaicity. Use a value of 0 to disable it. The anisotropic vector can be specified with the anivec command. Use mosaic to set the isotropic mosaicity. See mosaiciadd for another approach to set an anisotropic mosaicity,
animo can also be set from xtal.evc, scanname.pic, boxfile.pic and boxfile.evc (see boxopen, loadexppic and loadxtalevc).
animo is a refineable variable.
Related command: onescan.

anivec

Syntax: anivec h k l.
Default: anivec 0 0 1.
Actual: show mosaic
Sets the anisotropic vector (in terms of the reciprocal lattice). Use animo to set the amount of anisotropic mosaicity. During animate the vector will be generated if random anivec=on.
anivec can also be set from xtal.evc, scanname.pic, boxfile.pic and boxfile.evc (see boxopen, loadexppic and loadxtalevc).
Related command: vecscan.

autofirst

Syntax: autofirst state.
Default: autofirst on.
Actual: show misc

autorestore

Syntax: autorestore state.
Default: autorestore off.
Actual: show misc
autorestore only makes sense if reflections are read from a boxfile, and if variables are refined or changed manually. The batch command will set autorestore on.
If you changed one or more variables manually, and you want to apply these values for each new reflection, you have to use store init to save the current set of variables and set autorestore on. You may want to reset refined shift variables first (shextra 0 0 0). top

badresponsthreshold

Syntax: badresponsthreshold f.
Default: inactive.
Actual: show detector
Mark all pixels with a value less than or equal to f as bad. The value of f is read from the boxfile, but you may set it explicitly with this command; this will imply ignore badresponsthreshold on.

batch

Syntax: batch.
Actual: show misc
Triggers a batch-like run of eval15. The commands in the init file (eval15.init) and the remaining commands on the commandline will be executed until the first occurrence of boxopen. The whole boxfile will then be processed, and the results will be written to the corresponding yfile
batch itself will set Example:
  eval15 batch simulate 10000 boxopen s01f001

Special files:
file action See
eval15.init initial setup  
s01f001.shoe reflection data  
s01f.pic read if exists loadexppic
s01f001.pic read if exists loadexppic
s01f001.evc read if exists loadxtalevc
s01f.rmat read if exists rmat
s01f001.rmat read if exists rmat
The process variables are essential in the processing of data (see also show process).

beamgridsize

Syntax: beamgridsize n.
Default: beamgridsize 21.
Actual: show appearance
Sets the number of pixels (both horizontal as vertical) in the beamprofile grid. Only used if sampleplot beam is on.

beampixelsize

Syntax: beampixelsize f.
Default: beampixelsize 0.05.
Actual: show appearance
Sets the size (in mm) of one pixel in the beamprofile grid. Only used if sampleplot beam is on.

beampos

Syntax: beampos f.
Default: beampos 0.0.
Actual: show appearance
Sets the position along the x-axis of the the beamprofile grid. Only used if sampleplot beam is on.

boxclose

Syntax: boxclose.
Closes the boxfile.

boxfixed

Syntax: boxfixed state.
Default: boxfixed off.
Actual: show box
Controls the scaling of the subwindows. If state=off, the windows will have a free scale factor (but see creep).
If state=on, the windows will display pixels and images as set by boxsize. If data are read from a boxfile (see boxopen or file, read), boxfixed will be set to on.

boximpactdiff

Syntax: boximpactdiff state.
Default: boximpactdiff off
Actual: show box.
If on, differences in impact position (from the boxfile versus calculated values) will be written to the yfile as if they were shifts.

boxnext

Syntax: boxnext.
Opens the next boxfile. If no more files within the current scan are available, the first file from the next scan will be tried.
Related commands: autofirst, file, boxopen, read.

boxopen

Syntax: boxopen filename.
Reads experimental parameters from a boxfile. The following information is extracted from the file:
boxfile Eval15 ignore
ADCNOISE adcnoise adcnoise
ALPHA lambdavalue1 lambda
ALPHA1 lambdavalue1 lambda
ALPHA2 lambdavalue2 lambda
ALPHARATIO
ALPHAWEIGHT
lambdaweight1, lambdaweight2 lambda
BADRESPONSTHRESHOLD propagates to yfile badresponsthreshold
DETECTORSIZE dethor, detver  
DETECTORTYPE detectortype  
CELL ignored  
DETROT propagates to yfile  
DETZERO propagates to yfile  
DIST dist  
DURATIONMAX propagates to yfile  
focusstart...focusend focuschange focus
GAIN gain gain
GONIOSTAT goniostat  
GONIOSTATTYPE goniostattype goniostat
GONIOSTATOFFSET goniostatchange offset goniostat
goniostatstart...goniostatend goniostatchange goniostat
KAPPASUPPORT goniostatchange kappasupport  
INCIDENCECOEFFICIENT incidencecoefficient incidencecoefficient
INC pixelsize (3)  
MATFILE Used. No command equivalent rmat, twinmat
NOFIBRE ignored  
PIXELSIZE pixelsize (1) and (2)  
POLARISATION polarisation polarisation
POLARWEAKOVERSTRONG polarisation polarisation
RADIATIONTYPE Used. No command equivalent  
RELEASE propagates to yfile  
RMAT rmat rmat, twinmat
ROTATIONDIRECTION Used. No command equivalent  
ROTAX000 propagates to yfile  
SCAN rotaxnr  
SCANSTART propagates to yfile  
SCANINC propagates to yfile  
SWING swing  
TARGET target lambda
TWIN rmatX (X>1)  
VERSION propagates to yfile  
! adczero propagates to yfile  
! cwd propagates to yfile  
! dark propagates to yfile  
! Detector propagates to yfile  
! generator propagates to yfile  
! respons propagates to yfile  
! temperature propagates to yfile  
! times propagates to yfile  
! unreliable propagates to yfile  
REFL hkl  
BADRESP Used. No command equivalent  
FRAME propagates to yfile  
IMAGENAME propagates to yfile  
IMPACT Used. No command equivalent  
INCIDENCE Used. No command equivalent  
LL Used. No command equivalent  
OVFP Used. No command equivalent  
BOX boxfixed on, boxsize  
SHOE (obsolete) boxfixed on, boxsize  
The scan name will be extracted from filename (example: filename=s01f001.shoe → scanname=s01f ) If more than one orientation matrix will be used (see nrmat), then
The first reflection will be loaded (if autofirst=on). The box contents will be displayed. Use next to load the next reflection from the boxfile. Use boxnext to open the next boxfile.
(Use ignore to ignore some parameters from the boxfile)

If the batch-command has been given, the whole boxfile will be processed after boxopen.
Related commands: autofirst, batch, boxnext, file, ignore, read.

boxscan

Syntax: boxscan boxfilename variable delta start stop.
The value of variable will be changed from start to stop in steps of delta.
variable delta deltamin minimum maximum default start default end corresponding command
animo 0.1 0.0001 0.0 360.0 current-5*delta start+11*delta animo
focusdist 10.0 0.0001 0.01 10000 current-5*delta start+11*delta focus dist
lambdaX 0.001 0.000001 0.0 10.0 current-5*delta start+11*delta lambdavalueX
lamsigX 0.001 0.000001 0.0 10.0 current-5*delta start+11*delta lambdasigmaX
lamwghtX 0.1 0.0001 0.0 10000.0 current-5*delta start+11*delta lambdaweightX
latt 0.01 0.0001 0.0 1.0 current-5*delta start+11*delta latt
mosaicX 0.1 0.0001 0.0 360.0 current-5*delta start+11*delta mosaicX
moswghtX 1.0 0.0001 0.0 10000.0 current-5*delta start+11*delta mosaicweightX
mosrotX 0.1 0.0001 -180.0 180.0 current-5*delta start+11*delta mosaicrotangleX
pntspr 0.1 0.0001 0.0 100.0 current-5*delta start+11*delta pointspreadgamma
qvech 0.01 0.0001 -10.0 10.0 current-5*delta start+11*delta qvec
qveck 0.01 0.0001 -10.0 10.0 current-5*delta start+11*delta qvec
qvecl 0.01 0.0001 -10.0 10.0 current-5*delta start+11*delta qvec
shrot 0.1 0.000001 -2.0 2.0 current-5*delta start+11*delta shrot
xrot 10.0 0.000001 0.0 360.0 0.0 180 xrot
xrotx 10.0 0.000001 0.0 360.0 0.0 180 xrotx
xroty 10.0 0.000001 0.0 360.0 0.0 180 xroty
xrotz 10.0 0.000001 0.0 360.0 0.0 180 xrotz
xtalscale 0.1 0.0001 0.0 100.0 current-5*delta start+11*delta xtalscale
X in mosaicX moswghtX mosrotX depends on number of mosaics (see mosaicadd).
X in lambdaX lamsigX lamwghtX depends on number of wavelength records (see lambdaadd).

For every value of variable a refinefile will be executed on boxfilename. The average fom (see fomtype) is calculated and displayed.
If distribution type=onerot the fom as function of the selected variable will be plotted.
Notes:

boxsize

Syntax: boxsize hor ver rot.
Default: boxsize 21 21 5.
Actual: show box
Sets the size of the reflection box. hor and ver are expressed in pixels. rot is in frames.
If boxfixed=on the scaling in the windows will be fixed to accomodate the box settings. If data are read from a boxfile (see boxopen or file), boxfixed will be set to on and hor ver rot will be read from the boxfile. top

cell

Syntax: cell a b c alpha beta gamma.
Default: cell 10 10 10 90 90 90.
Actual: show cell
Input the cell parameters. An arbitrary orientation matrix will be build.
Related commands: readins, rmat.

centraloverlap

Syntax: centraloverlap hor ver rot.
Default: centraloverlap 0 0 0.
Actual: show cell
Neighbour reflections will be generated using the main lattice cell parameters and the interfering lattice cell parameters. If centraloverlap is set to nonzero values, a generated neighbour reflection will not be added to the list of actual neighbour reflections if the impact of such a reflection is within hor ver mm and rot degrees of the central reflection.
This command can be used to integrate a small cell with a corresponding supercell as interfering lattice. The central (small cell) reflection will always overlap with the corresponding (super cell) reflection.

changecoef

Syntax: changecoef main/nb/bg/all svd/zero/calc.
Default: changecoef all svd.
After the least-squares fit (see lsqtype) you can change the fitted coefficents.
Related commands: fbg, fbragg.

check

Syntax: check invalid/overflow/pixel.
Command to check various data. Used for debugging purposes. Related command: pick.

clear

Syntax: clear.
Clears the detector-window.

cntclose

Syntax: cntclose.
Closes the cntfile after using the cntwrite command.

cntfile

Syntax: cntfile filename.
Default: cntfile slices.cnt.
Actual: show misc
Sets the filename for the cntwrite command.

cntwrite

Syntax: cntwrite
Write all slices to cntfile. The file will be created if necessary. Specify the filename with cntfile. Close the file with cntclose. cntwrite will only be effective while reading boxfile reflections (i.e. after boxopen or file) and while simulating (i.e. after simulate and go).
cnt files can be read by view and atlas.

collimatordiameter

Syntax: collimatordiameter f.
Syntax: collimatordiameter -1.
Actual: show xtal
Set the collimator diameter to f Use a negative number to disable the collimator.
f is the diameter in mm of the collimator at distance zero (i.e. at crystal position). collimatordiameter will only be used if collimatortype=circle.
Related commands: collimatorheight, collimatortype, collimatorwidth.

collimatortheight

Syntax: collimatorheight f.
Syntax: collimatorheight -1.
Actual: show xtal
Set the collimator height to f Use a negative number to disable the collimator.
f is the height in mm of the collimator at distance zero (i.e. at crystal position). collimatorheight will only be used if collimatortype=slit.
Related commands: collimatordiameter, collimatortype, collimatorwidth.

collimatortype

Syntax: collimatortype circle/slit.
Default: collimatortype circle.
Actual: show xtal
Set the collimator type. The crystal will be sampled using xtalsamplesize. The list of sampled points will be brought into diffracting position, and the the collimator filter will be applied. All intensities and sigma's will be divided by the fraction of filtered points with respect to the total number of sample points.

collimatorwidth

Syntax: collimatorwidth f.
Syntax: collimatorwidth -1.
Actual: show xtal
Set the collimator width to f Use a negative number to disable the collimator.
f is width of the collimator in mm at distance zero (i.e. at crystal position). collimatorwidth will only be used if collimatortype=slit.

Related commands: collimatordiameter, collimatorheight, collimatortype.

colour

Syntax: colour reset.
Syntax: colour bw state.
Syntax: colour invert state.
Syntax: colour lowwhite state.
Syntax: colour name value.
Actual: show colour
Change colours.
action default description
reset   reset all colours to their defaults
bw off Do/DoNot use black/white/grey colours
invert off Do/DoNot invert the colours
lowwhite on intensity colours from white to black
name default description
main darkgoldenrod main window
axesbg yellow4 axes pointing down in xtal-window
axesfg yellow axes pointing to viewer in xtal-window
badrespons green Bad respons pixels
bg grey37 background of all non-detector windows
centralbgfirst black border of central impact cross before shift (draw central)
centralbglast white border of central impact cross after shift (draw central)
centralfirst darkred central impact before shift (draw central)
centralfirst red central impact after shift (draw central)
contour green contour
contourpoints magenta contour impacts (draw contourpoints)
cursorbg black cursor background in slice- and projection windows
cursorfg yellow cursor foreground in slice- and projection windows
detbg grey37 background of detector-window
facesbg brown background faces in xtal-window
facesfg orange foreground faces in xtal-window
fg white impacts, xtal corners, beamstop
focus red focus contour, sampleplot focus, sampleplot inray
gravitycalc blue impact gravity (stills only) (draw central)
gravityobs cyan impact gravity (stills only) (draw central)
grid grey45 grid (draw grid), detector boundaries
incomplete red flxm contour of incomplete reflection
label cyan labels in windows
lambda blue lambda contour
legenda1 yellow variable names in legenda window, subwindow labels
legenda2 yellowgreen results in legenda window
legenda3 orange refinement results in legenda window
legenda4 red warnings in legenda window
mica red mica contour
mosaic yellow mosaic contour
overflow red overflow pixels
profile orange
profilefit brown
refl red main reflection in slice-windows (cutoff)
reject1 blue rejected pixels
reject2 cyan rejected pixels
rmat1 orange neighbour reflections main lattice in slice-windows
rmat2 yellow reflections interfering lattices in slice-windows
rmat3 magenta reflections interfering lattices in slice-windows
xtal yellow xtal contour, sampleplot xtal, sampleplot outray
xtalin cyan intersection of inray and crystal if sampleplot edge=on
xtalout magenta intersection of outray and crystal if sampleplot edge=on
pixel? See colourscheme pixel pixel (? from 0 to 8)
diff? See colourscheme diff Observed-Model (? from 0 to 8)
alpha0 See colourscheme alpha intermediate wavelengths
alpha? See colourscheme alpha alpha (? from 1 to 8)

colourscheme

Syntax: colourscheme alpha/diff/pixel grey/rb/rainbow/bry.
what default description
alpha rainbow various wavelength colours
diff rb diff window
pixel grey pixels (observed and simulated)

contour

Syntax: contour type(s) state.
Default:contour L X F M N off contour FLX MN FLXMN on
Actual: show contour
Sets the contours to be plotted. List of types.
The colour of the contours can be set with colour contour. Use the command draw contourpoints to draw the points also.

correct

Syntax: correct none/normal/full/debug
Default: correct normal
Actual: show misc
Allows command and option corrections. Commands and options are only corrected if input originates from the keyboard, and output is sent to the screen.

cutoff

Syntax: cutoff f
Default: cutoff 0.003
Actual: show simulate
Sets a minimum threshold in the pointspread-slices. If a pixel value in the pointspread-slices exceeds f*simulate, the pixel is considered to be inside a reflection (main or neighbour).

cvectorrot

Syntax: cvectorrot state
Default: cvectorrot off.
Actual: show cvector
Only applicable when c-vectors are created from impact positions (thus with the commands hor, ver and walk).
An impact record consists of 3 numbers: the horizontal and vertical impact (in mm) on the detector and a rotation angle to bring the reflection into diffracting position. If cvectorrot is off this angle will be set to zero. So the crystal does not have to be rotated. If cvectorrot is on the angle is set to -ζ for right impacts and to ζ for left impacts (see the figure in the cvector page). All other ways of selecting a c-vector (hkl, theta, phi, chi, next) ignore the setting of cvectorrot.
Note: whether the crystal will be rotated in the xtal-window also depends on the setting of diffracpos. top

debugimpact

Syntax: debufimpact n.
Default: debugimpact 0.
Only valid for still data. If set to a positive value, the first n impact simulations will be printed.

delay

Syntax: delay sec.
Default: delay 1.0.
Actual: show animate
During animate or during a walk the next simulation will start after sec seconds. If the current simulation results in an incomplete reflection the delay will be the number of seconds specified in the longdelay command.
delay specifies also the number of seconds of the wait command.

dict

Syntax: dict stte
Default: dict off
If state=on some output of the legenda will be printed as a list of keyword/value pairs. The keywords start with dictname.

dictname

Syntax: dictname label
Default: dictname !!eval15-
Sets the leading part of keywords of dictionary output (if dict=on).

diffracpos

Syntax: diffracpos state.
Default: diffracpos on.
Actual: show xtal
If on the xtal will be rotated into diffracting position before the actual drawing in the xtal-window. The viewvector is controlled by the commands view and viewrot.
If a cvector is defined from an impact position (the commands hor, ver and walk) the rotation angle will be set to zero (unless cvectorrot is set to on).
Related commands: plot, plot0, plot000, plotrot.

diffdividesigma

Syntax: diffdividesigma state.
Default: diffdividesigma on.
Actual: show appearance
There are two ways slicediff-slices can be plotted.

diffscale

Syntax: diffscale f.
Default: diffscale 1.
Actual: show appearance
If divdividesigma=on slicediff-slices will be drawn in a special way. The assignment of colours: Only effective while reading boxfile reflections (i.e. after boxopen or file) and while simulating (i.e. after simulate).

difftype

Syntax: difftype observed/model/combined.
Default: difftype model.
Actual: show appearance
If divdividesigma=on slicediff-slices will be drawn in a special way.

dirax

Syntax: dirax
If the diraxfile is opened (see diraxopen) you can click in one of the slicewindows. The c-vector corresponding to to clicked point will be written to the diraxfile.

diraxclose

Syntax: diraxclose
Close the diraxfile.
Related commands: dirax, diraxopen.

diraxopen

Syntax: diraxopen filename
This will create the diraxfile filename. After every dirax command, you have to click a position in one of the slice windows. The corresponding c-vector will then be written to the diraxfile.
Close the file with diraxclose.

dist

Syntax: dist x.
Default: see detectortype.
Actual: show detector
Sets the detector-to-xtal distance.

distribution

See also the the lambda page.

divmax

Syntax: divmax f.
Default: divmax -1.0.
Sets a maximum divergence (in millirad) on incoming rays.
The incoming ray starts at a (sampled) focus point, en hits a (sampled) crystal point. The divergence is the angle (in millirad) between this incoming ray and the laboratory x-axis.
If f is set to a positive value, simulated rays with a divergence > f will be ignored (their effective intensity is set to zero).

draw

Syntax: draw option state.
Controls the drawing of various objects.

dump

Syntax: dump variable list.
Print all the information on variables. You may specify a question mark (?) to get a list of possible variables.
See the refine page.
Related commands: fix, force, free, lock, refine, refineshift.

dur

Syntax: durX
Default: dur3.0.
Skip reflections until the duration exceeds X. Reflections with some error flag (for example: overlap, overflow, edge, respons) will be skipped too.
Only useful while reading reflections from a file (thus after boxopen or file)
Related commands: next, pq, reflnr. top

edgefraction

Syntax: edgefraction f.
Default: edgefraction 0.2.
Actual: show simulate
If, during the simulation, an impact falls beside the reflectionbox, this impact is marked as edge. If the fraction of edge impacts exceeds f, a reflection will be flagged EDGE or BIG in the corresponding yfile. The screen output is explained in the statistics page.
Related commands: framefraction, responsfraction.

epsilon

Syntax: epsilon eps.
Default: epsilon 0.5.
Actual: show fibre
Sets the Bragg/Ewald margin to eps°. This margin is only used if fibre is on

eval14

Syntax: eval14 state
Default: eval14 off
Actual: show simulate
If on, an eval14-like intensity is calculated. This is the sum of the observed pixel intensitities, with their corresponding background subtracted, for the main reflection pixels only (as defined by cutoff).
For nbg background pixels: Sbg = Σ(obs-calc)² and σbg = √( Sbg/(nbg-3) ) resulting in the sigma for one background pixel.
Assuming Poisson statistics, σI = √(I).
σnet = √( σI² + npkbg² ) Related commands: eval14pointspread, eval14threshold.

eval14pointspread

Syntax: eval14pointspread state
Default: eval14pointspread on
Sets/unsets the calculation of the eval14-like effective pointspread.

eval14threshold

Syntax: eval14threshold n.
Default: eval14threshold 0.
Actual: show simulate
Sets the maximum number of overlapping pixels for a valid eval14-like integration result.

eval14type

Syntax: eval14type normal/sumray
Default: eval14type normal
Actual: show simulate
Only used for still data. Controls the value of the eval14-like intensity in the yfile.

exhor

Syntax: exhorX hor.
Default: exhor 0.
Actual: show box
Defines the extra horizontal shift for lattice X (default X=1). This shift (and also shhor) is added to the simulated impact position (just before the impact is converted to a pixel or frame number).
exhor is a refineable variable.
Related commands: exrot, exver, shextra, shhor, shiftrmat, shinit, shrot, shver, splitshift.

exit

Syntax: exit.
Exit program.

exrot

Syntax: exrotX rot.
Default: exrot 0.
Actual: show box
Defines the extra rotational shift for lattice X (default X=1). This shift (and also shrot) is added to the simulated impact position (just before the impact is converted to a pixel or frame number).
exrot is a refineable variable.
Related commands: exhor, exver, shextra, shhor, shiftrmat, shinit, shrot, shver, splitshift.

exver

Syntax: exverX ver.
Default: exver 0.
Actual: show box
Defines the extra vertical shift for lattice X (default X=1). This shift (and also shver) is added to the simulated impact position (just before the impact is converted to a pixel or frame number).
exver is a refineable variable.
Related commands: exhor, exrot, shextra, shhor, shiftrmat, shinit, shrot, shver, splitshift. top

facetest

Syntax: facetest.
Run a face consistency test. facetest is automatically called after readins. Here is an example of the output for model 2
Eval15> facetest
8 corners
 nr   x        y        z      distance Faces
  1  0.25000  0.25000  0.25000  0.43301 1 2 3
  2 -0.25000  0.25000  0.25000  0.43301 1 2 4
  3  0.25000 -0.25000  0.25000  0.43301 1 3 5
  4 -0.25000 -0.25000  0.25000  0.43301 1 4 5
  5  0.25000  0.25000 -0.25000  0.43301 2 3 6
  6 -0.25000  0.25000 -0.25000  0.43301 2 4 6
  7  0.25000 -0.25000 -0.25000  0.43301 3 5 6
  8 -0.25000 -0.25000 -0.25000  0.43301 4 5 6

A list or corners coordinates, the distance to the center of the xtal and the facenumbers through the corners.
6 active faces
 nr   x        y        z      distance   P Corners
  1  0.00000  0.00000  1.00000  0.25000   4 1 2 3 4
  2  0.00000  1.00000  0.00000  0.25000   6 1 2 5 6
  3  1.00000  0.00000  0.00000  0.25000   7 1 3 5 7
  4 -1.00000  0.00000  0.00000  0.25000   8 2 4 6 8
  5  0.00000 -1.00000  0.00000  0.25000   8 3 4 7 8
  6  0.00000  0.00000 -1.00000  0.25000   8 5 6 7 8

A list of the face normals, the distance to the center, the corners on the faces. P is the corner point used in the xtal sample routine.
Face Angles
Face 1 2: 90.0 3: 90.0 4: 90.0 5: 90.0
Face 2 1: 90.0 3: 90.0 4: 90.0 6: 90.0
Face 3 1: 90.0 2: 90.0 5: 90.0 6: 90.0
Face 4 1: 90.0 2: 90.0 5: 90.0 6: 90.0
Face 5 1: 90.0 3: 90.0 4: 90.0 6: 90.0
Face 6 2: 90.0 3: 90.0 4: 90.0 5: 90.0

The angles between all the face normals.

6 unchanged faces Face x y z Dist 1 0.00000 0.00000 1.00000 0.25000 2 0.00000 1.00000 0.00000 0.25000 3 1.00000 0.00000 0.00000 0.25000 4 -1.00000 0.00000 0.00000 0.25000 5 0.00000 -1.00000 0.00000 0.25000 6 0.00000 0.00000 -1.00000 0.25000

The model is rebuild from the corners. Here are the resulting face normals (in laboratory system). If face indices where defined (using the readins command, the indices would be printed here also.
Suppose the next file was read in with readins:
TITL Cube
CELL 0.71073 10 10 10 90 90 90
FACE    1  0  0  0.250
FACE   -1  0  0  0.250
FACE    0  1  0  0.250
FACE    0 -1  0  0.250
FACE    0  0  1  0.250
FACE    0  0 -1  0.250

Then the output of facetest is:
6 unchanged faces
Face   x        y        z        H   K   L    Dist
   1  1.00000  0.00000  0.00000   1   0   0  0.25000
   2 -1.00000  0.00000  0.00000  -1   0   0  0.25000
   3  0.00000  1.00000  0.00000   0   1   0  0.25000
   4  0.00000 -1.00000  0.00000   0  -1   0  0.25000
   5  0.00000  0.00000  1.00000   0   0   1  0.25000
   6  0.00000  0.00000 -1.00000   0   0  -1  0.25000

6 faces 8 corners 12 edges

The final numbers.

faceconvert

Syntax: faceconvert.
then this command will transform the faceindices to the current RMAT.

fbg

Syntax: fbg f.
Default: fbg 1.
Actual: show simulate
After the least-squares fit (see lsqtype) a model profile is calculated. This profile is the sum of the bragg-related intensity and the background-related intensity.
model = fbragg * bragg + fbg * bg
With fbg you may change the background contribution to the model profile.
Releated: changecoef, fbragg

fbragg

Syntax: fbragg f.
Default: fbragg 1.
Actual: show simulate
After the least-squares fit (see lsqtype) a model profile is calculated. This profile is the sum of the bragg-related intensity and the background-related intensity.
model = fbragg * bragg + fbg * bg
With fbragg you may change the bragg contribution to the model profile.
Releated: changecoef, fbg

fibre

Syntax: fibre state.
Default: fibre off.
Actual: show fibre
If fibre is on, the simulation will be done using a different scheme. Use epsilon to set the Bragg/Ewald fibre margin.

fibreaxis

Syntax: fibreaxis x y z.
Default: fibreaxis 0 0 1.
Actual: show fibre
The orientation matrix will be positioned with the c-axis along fibreaxis.

file

Syntax: file nr/name reflnr.
Actual: show box
Opens a new boxfile using boxopen and load reflection reflnr.
If the first argument is not a boxfilename but an integer number, the nr'th boxfile will be opened. The second argument is the reflection number within the new boxfile. read is an alias for file.
Related commands: autofirst, boxnext, boxopen, reflnr.

fix

Syntax: fix variable list.
Actual: show refine
Fixed variables will not be refined at the next refine command (refine, refinebox, refinefile, refineouter).
See the refine page.
Related commands: free, force, lock.

flex

Syntax: flex f
Default: flex 0.5
Used for still data only, and only if stilltype=flexible.
Every simulated impact has an η (90-η is the angle between the reflection vector and the inray) and a θ. Both of these two angles lead to impacts on the detector.
Those two impacts are averaged using f to the flexible impact. If f=0.0 the result coincides with the η-impact, If f=1.0 the result coincides with the θ-impact.
The flexible impact will be drawn if draw flex is on.
flex sets ignore flex on.

focfile

Syntax: focfile filename.
Actual: show focus

Examples:

focus

Syntax: focus convergent/dist/focaldist/focalradius/hor/length/slitdist/slithor/slitver/takeoff/ver/width.
Change focus parameters. if you specify more options in one line
(example: focus slithor 1.0 slitver 1.0). If you want to add a new command on the same inputline, you can signal the end of the focus parameters with nop or ;. focus sets ignore focus on.

focuschange

An alias for focus.

focuslambda

Syntax: focuslambda n
Default: focuslambda 0
Selects the focus sampling scheme: Use sampleplot focus on to visualize the focus sampling.

focustype

Syntax: focustype unknown/tube/rotating/mirror/synchrotron.
Default:focustype tube.
Actual: show focus
Sets various focus parameters according to the focustype.
parameter units unknown tube rotating mirror synchrotron
focus dist mm 220.0 220.0 220.0 250.0 1000.0
focus length mm 0.3 0.3 0.3   0.1
focus width mm 0.3 0.3 0.3   0.1
focus convergent on/off       on  
focus focaldist mm       -60.0  
focus focalradius mm       0.175  
focus slitdist mm       150.0  
focus slithor mm       1.0  
focus slitver mm       1.0  
focustype will be set via the DETECTORTYPE record in a boxfile, unless ignore focus is set to on.
All these standard focustypes can be overruled with the command focfile. That command will set focustype to file.

follow

Syntax: follow state
Default: follow off.
Actual: show window
If on, windows clicked via the pick command will be zoomed.

fomtype

Syntax: fomtype box/peak/bg.
Default: fomtype box.
Actual: show refine
The refine command minimizes a function describing the fit between observed and calculated data. Use fomtype to set this function.
type description
box √ [Σ wi ( Obsi-Calci)² ) / (n-nrefined) ]
for all (n) pixels in the box
peak √ (Σ wi ( Obsi-Calci)² ) / (n-nrefined) )
for n pixels in the central peak (defined with cutoff)
bg √ (Σ wi ( Obsi-Calci)² ) / (n-nrefined) )
for n pixels outside any peak (defined with cutoff)
 
var description
wi weight of pixel i (See weightscheme)
Obsi Observed intensity in pixel i
Calci Calculated intensity in pixel i
nrefined Number of refined variables
The FOM will be written to the y-file in batchmode.
Related commands: scanfomtype, penalty.

force

Syntax: force variable list.
Actual: show refine
Do refine the locked variable list at the next refine command.
(refine, refinebox, refinefile, refineouter).
A locked variable will remain locked, even after invoking the free command. Use force to enable refining of these variables. Use lock to lock a variable.
See the refine page.
Related commands: fix, free, lock, refineshift.

forever

Syntax: forever state.
Default: forever off.
If a boxfile has been opened (boxopen or file), forever on will restart at reflection 1 if an end-of-file is encountered. If another boxopen or file command is given, forever will be switched off.
forever on is especially usefull with boxfiles containing only a few reflections to optimize various reflection model parameters.

framefraction

Syntax: framefraction f.
Default: framefraction 0.1.
Actual: show simulate
This number is only used with still data, or when oneframe is active. If, during simulation, the fraction of impacts on the frame in question is less than f, the reflection will not be refined. The framefraction can be shown in a graph with distribution type rot
Related commands: edgefraction, responsfraction.

free

Syntax: free variable list.
Actual: show refine
Do refine variable list at the next refine command (refine, refinebox, refinefile, refineouter).
See the refine page.
Related commands: fix, force, lock, refineshift. top

gain

Syntax: gain f.
Default: gain 1.0.
Actual: show detector
Set the detector gain. The gainvalue is normally read from the boxfile. All pixel intensities from the boxfile will be divided by the value of gain.
gain sets ignore gain on.
Related commands: adcnoise, addconstant.

go

Syntax: go.
Run the simulation for the current set of parameters. See the go/refine sequence of events.

goniostatchange

Change one or more attributes of the goniostat. goniostatchange sets ignore goniostat on.
See the goniostat page for more information.

goniostatprint

Prints the parameters of the goniostat. See the goniostat page for more information.

goniostattype

Sets the goniostat type. See the goniostat page for more information.

graphics

Syntax: graphics state
Default: graphics on
enable/disable graphics output. The default is on, but batch will switch it off.

gravity

Syntax: gravity
Calculates GravityObs-GravityCalc and adds the result to the accumulated shifts shextra.

gravitycycles

Syntax: gravitycycles n
Default: gravitycycles 4
Sets the number of refinement cycles for refinetypeinner gravity.

gravitytype

Syntax: gravitytype main/box
Default: gravitytype box
Defines the pixels used for calculating the gravity. GravityObs is the centre of gravity for the selected pixels in the observed-slices. GravityCalc is the centre of gravity for the selected pixels in the model-slices.

gui

Syntax: gui
Prints the status of the program. This can be used for a GUI program to extract useful information, top

help

Syntax: help [command]
Start webbrowser with help on eval15. The following browsers are tried: (GETENV BROWSER),netscape, mozilla. You may add the optional command; if possible, the browser will jump to the appropriate section.

hkl

Syntax: hkl h k l.
Specify a reflection by its indices. The result of this command depends on the reading of a boxfile. top

ignore

Syntax: ignore item state.
Default: ignore all off.
Actual: show misc
item ignoring boxfile data automatically set by
adcnoise ADCNOISE adcnoise
badresponsthreshold BADRESPONSTHRESHOLD badresponsthreshold
flex STILLFLEX flex
focus focustype (via DETECTORTYPE)
focusstart...focusend
focuschange
gain GAIN gain
goniostat goniostatstart...goniostatend goniostatchange
incidencecoefficient INCIDENCECOEFFICIENT incidencecoefficient
lambda ALPHA
ALPHA1
ALPHA2
ALPHARATIO
TARGET
lambdaadd, lambdaaddfull, lambdacalcmean lambdavalue
polarisation POLARISATION
POLARWEAKSTRONG
polarisation
rmat MATFILE
RMAT
rmat,qvec, boxscan qvech/qveck/qvecl
still STILL still
stilltype STILLTYPE stilltype
twinmat after TWIN: MATFILE
after TWIN: RMAT
rmat2...

imagefilename

Syntax: imagefilename.
Prints the imagefilename of the current reflection (after boxopen or file).

impact

Syntax: impact type(s) state.
Default: impact none.
Actual: show impact
Controls the plotting of impacts. type(s) are described here. The extreme impacts can be labelled with the impactlabel command.
The size of the impacts (on the screen) can be set with impactdotsize. The colour of the impacts related to the eval14-like contours is set by colour fg.
If simulate>0 and draw simulated=on, the simulated impacts will be plotted in the FLXMN window (and the slicerow specified by impactrow) with colours as set by impactcolourtype.
Related commands: draw simulated, impactrow.

impactcolourtype

Syntax: impactcolourtype alpha/effective/focushor/focusver/lambda/mosaic.
Default: impactcolourtype alpha.
Actual: show impact
Sets the colour for impacts in the contour windows. impactcolourtype is also used in some of the sampleplot actions. Impacts are drawn if draw simulated=on in the FLXMN window, and in the slices of row impactrow. The colours used are (colour alpha1 to colour alpha7).
Related command: sampleplotcolourtype.

impactdotsize

Syntax: impactdotsize n.
Default: impactdotsize 1.
Actual: show impact
Sets the size (in screen pixels) of impacts.

impactlabel

Syntax: impactlabel type(s) state.
Default: impactlabel all off.
Actual: show impact
If on, impacts (set by the impact command) will also be labeled. type(s) are described here.

impactnb

Syntax: impactnb n.
Default: impactnb 0.
Actual: show impact
The impacts are only drawn if impactrow is nonzero.

impactrow

Syntax: impactrow n.
Default: impactrow 0.
Actual: show impact
If set to a nonzero value, the simulated impacts will be drawn in the slice-windows in row n. The colourscheme of the impacts is set by impactcolourtype, the size of the points is set by impactdotsize. Note: impacts are not drawn if draw simulated=off.

incidencecoefficient

Syntax: incidencecoefficient f.
Default: incidencecoefficient 0.0.
Actual: show detector
Set the detector incidence coefficient. Intensities and sigma's will be corrected using f and the incidence angle. The incidence angle incid is the angle between the reflection outray and the detectornormal.
corr = 1+f*(1-cos(incid))

        Iold
Inew = ——————
        corr

The incidencecoefficient is normally read from the boxfile.
incidencecoefficient sets ignore incidencecoefficient on.

incidencecoefficient2

Syntax: incidencecoefficient2 f2.
Default: incidencecoefficient2 0.0.
Actual: show detector
An alternative for the default incidence angle correction.
Set the detector incidence coefficient2. Intensities and sigma's will be corrected using f2, f3 (see incidencecoefficient3) and the incidence angle. The incidence angle incid is the angle between the reflection outray and the detectornormal.
x = 90-incid
corr = 1 + f2*e(1-x)/f3)

        Iold
Inew = ——————
        corr

incidencecoefficient2 disables incidencecoeficient.

incidencecoefficient3

Syntax: incidencecoefficient3 f3.
Default: incidencecoefficient3 0.0.
Actual: show detector
An alternative for the default incidence angle correction.
Set the detector incidence coefficient3. Intensities and sigma's will be corrected using f2 (see incidencecoefficient2), f3 and the incidence angle.
See incidencecoefficient2 for a description of how f2 and f3 are used.
incidencecoefficient3 disables incidencecoeficient.

inner

Syntax: inner variable list.
Default: inner shextra.
Actual: show refine
Mark the variables in variable list as inner variables. inner and outer variables are used by refineouter
See the refine page.
Related commands: outer, refineouter.

intermediate

Syntax: intermediate slicelist state.
Default: intermediate all off intermediate diff on.
Actual: show refine
During a refinement, the slice-windows are not updated every cycle. Use this command to describe the information you want to see at each cycle. You may specify one or more slicetypes.
Related command: link.

isigrefine

Syntax: isigrefine f.
Default: isigrefine 10.
Actual: show refine
Refinement on reflections will only be done if i/σ is greater than f. Whether a reflection is refined depends also on the settings of refineable variables (free).
isigrefine can also be set from xtal.evc, boxfile.evc (see boxopen, loadxtalevc). top

kappasupport

Syntax: kappasupport f.
Obsolete command to set the kappasupport angle for a kappa goniostat. You should use: goniostatchange kappasupport f nop instead. top

lambdaadd

Syntax: lambdaadd λ sigma weight
Actual: show lambda
Adds a wavelength record to the wavelength spectrum.
lambdaadd sets ignore lambda on.
Related commands: lambdaaddfull, lambdahigh, lambdainit, lambdalow, lambdasigma, lambdatype, lambdavalue, lambdaweight.
See also the the lambda page.

lambdaaddfull

Syntax: lambdaaddfull λ sigma weight low high type
Actual: show lambda
Adds a wavelength record to the wavelength spectrum. Similar to lambdaaadd, but in this case the values for low, high and type can be set.
lambdaaddfull sets ignore lambda on.
Related commands: lambdaadd, lambdahigh, lambdainit, lambdalow, lambdasigma, lambdatype, lambdavalue, lambdaweight.
See also the the lambda page.

lambdacalcmean

Syntax: lambdacalcmean n.
Actual: show lambda
Calculate the value of the weighted and unweighted means of the wavelength. n is the number of the records in the wavelength spectrum to use.
lambdacalcmean sets ignore lambda on.
Related command: lambdameanmid.
See also the the lambda page.

lambdahigh

Syntax: lambdahighX f.
Syntax: lambdahighall f f f .....
Default lambdahighX -1.0.
Actual: show lambda or lambdaprint
Sets an upper limit during simulation on a wavelength in the wavelength spectrum. Use X to specify a wavelength number (default=1). A negative value unsets the upper limit.
Related command: lambdalow.
See also the the lambda page.

lambdainit

Syntax: lambdainit.
Clears the wavelength spectrum and target name. You can fill the spectrum with the commands target and lambdaadd, lambdaaddfull, lambdasigma, lambdavalue, lambdaweight.
Use targetname to set the target name (without setting the corresponding wavelengths).
lambdainit sets ignore lambda off.

lambdalow

Syntax: lambdalowX f.
Syntax: lambdalowall f f f .....
Default lambdalowX -1.0.
Actual: show lambda or lambdaprint
Sets a lower limit during simulation on a wavelength in the wavelength spectrum. Use X to specify a wavelength number (default=1). A negative value unsets the lower limit.
Related command: lambdahigh.
See also the the lambda page.

lambdameanmid

Syntax: lambdameanmid mean mid.
Actual: show lambda
Change the values of the weighted (λmean) and unweighted (λmid) means of the wavelength to mean and mid. The defaults depend on the way the wavelength is set. λmean and λmid are not recalculated if you change the wavelength records (using lambdaadd, lambdaaddfull, lambdavalue or lambdaweight) unless you use leambdameanmid or leambdacalcmean.
See also the the lambda page.

lambdaprint

Syntax: lambdaprint
Print all wavelengths.

lambdarange

Syntax: lambdarange range.
Default: lambdarange 0.0.
Actual: show lambda
During simulation, the wavelength will be sampled using the wavelength spectrum.
A fraction (the value of range) will be sampled with a value between the smallest and highest wavelength in the spectrum. Impacts from these points (if draw simulateimpact=on) will be coloured differently (colour alpha0).

lambdasigma

Syntax: lambdasigmaX sigma.
Syntax: lambdasigmaall sigma1 sigma2 .....
Abbreviation: lamsig.
Actual: show lambda
Sets the width of a wavelength in the wavelength spectrum. Use X to specify a wavelength number (default=1).
lambdasigma is a refineable variable.
Related commands: lambdaadd, lambdaaddfull, lambdahigh, lambdainit, lambdalow, lambdatype, lambdavalue, lambdaweight, onescan.
See also the the lambda page.

lambdatype

Syntax: lambdatypeX gauss/lor/block.
Syntax: lambdatypeall gauss/lor/block gauss/lor/block ....
Actual: show lambda
Sets the lambda type. Used only in the simulation.
A random lambdarecord will be selected from the lambda spectrum using the (relative) weights of the records. The actual wavelength will be selected around the lambdavalue of the choosen record. The distribution width is set with lambdasigma. You may use distribution type lambda plot to inspect the resulting spectrum.

lambdavalue

Syntax: lambdavalueX f.
Syntax: lambdavalueall f f f .....
Abbreviation: lamval.
Actual: show lambda
Sets a wavelength in the wavelength spectrum. Use X to specify a wavelength number (default=1). During simulation, the wavelength will be sampled using all wavelengths in the spectrum. Use lambdainit to clear the spectrum.
It is also possible to set the wavelengths with the target command. The default is target Mo.
lambdavalue is a refineable variable.
lambdavalue sets ignore lambda on.
Related commands: lambdaadd, lambdaaddfull, lambdahigh, lambdainit, lambdalow, lambdasigma, lambdatype, lambdaweight, onescan.
See also the the lambda page.

lambdaweight

Syntax: lambdaweightX weight.
Syntax: lambdaweightall weight1 weight2 .....
Abbreviation: lamwght.
Actual: show lambda
Sets the relative intensity of a wavelength in the spectrum. Use X to specify a wavelength number (default=1).
lambdaweight is a refineable variable.
Related commands: lambdaadd, lambdaaddfull, lambdahigh, lambdainit, lambdalow, lambdasigma, lambdatype, lambdavalue, onescan.
See also the the lambda page.

largelegenda

Syntax: largelegenda state.
default: largelegenda on.
Actual: show window
The legenda window is placed at the right side of the main window. If on, the whole vertical space is used by the legenda window. If off, the legenda window will occupy only the bottom half of the main window, leaving more space for all the slice windows.
Related command: legenda.

latt

Syntax: latt f.
Default: latt 0.0.
Actual: show mosaic
Sets the lattice distortion. The type of distortion depends on the value of lattiso: