SIMRES 4.94 help


Exit commands

EXIT  exit with warning ifparameters are not saved
EXFF  exit without saving 


Parameter handling

LIST  list ofparameters
SAVE  saves parameters inthe current parameter file
SAVE as  prompts for a new parameter filename
FILE  change param. file withwarning if old parameters are not saved (ILL spectra files are acceptedas well)
CFG  changes the name ofthe configuration file (default is simres00.cfg)
RO  sets "optimal" crystalcurvatures (parallel beam focusing for monochromator and sample-to-detectorfocusing for analyzer)(a mask in the form: i j k l (=0 1) specifies whichcurvaturehas to be actually changed  e.g. RO 0 1 0 0 changes only ROMV)
MRO [n]  Optimize crystal curvature using MonteCarlo tracing n=1..4 stands for ROMH..ROAV respectively
POS x y z  changes sample position (for Monte Carlo only) x isparallel to ki z is vertical. Without parameters it writes the current position
FLX  [f]  set neutron flux [1e14/s/cm^2]
TEMP [T]  set source temperature [K]
CRYST [n]  set the crystal name. Crystal parameters (absorption reflectivity etc..) will be read from the "crystal.lib" library. The commandasks for the crystal name which must be the same as in the "crystal.lib"file (ASCII format).  n=1|2 means monochromator|analyzer. Withoutparameter the command prints the current setting. Ge 111 is the initialdefault.

Attention:  The d-spacing is contained in the library and will rewrite the value given from the command line  (or the *.res) file. To modify d-spacing, you need first to edit crystal.lib  file (2nd column).


Graphics

 
PLOT  Plot 2 dim. beam profile. Simultaneously, 3 corresponding ASCII data files are created: 
ness_x_i.dat  ....  projection on y=0
ness_y_i.dat  ....  projection on x=0
ness_2d_i.dat ....  x y z data
where i = 1..9 is incremented on each PLOT command
SVOL  plots the image of sample gaugevolume
LPROF  plots the lambda distribution across thesample
DPROF  plots the beam profile along the detector
TPROF  plots the powder peak profile calculatedfrom the resolution function R(Q)
MPROF plots multidetector scan (powder diffraction)
PRINT n repeats the last plot command (above), but sends result on  the printer using the command defined in the environment variable  PGPLOT_ILL_PRINT_CMD.
GRFDEV set graphics device string for PGPLOT (default read from PGPLOT_DEV environment variable)

Start simulation

 
FLUX  simulates the intensity at the sample starting at the source
NFLUX as FLUX, but starts at the sample (FASTER !)
FLUX  2 simulates the intensity at the detector, considering an ideal  powder sample. Detector distance is then equal to the sum of sample-to-analyzer and analyzer-to-sample distances. Analyzer and collimator 4 are ignored.
NFLUX 2 as FLUX 2, but starts at the sample (FASTER !) Use DPROF or PLOT commands to view the result.
PWD resolution funciton of a powder diffractometer (COL4 and analyzer ignored) Use TPROF command to view the result.
PWDS  scan powder peak by multidetector with step DTH Use MPROF command to view the result.
MONIT n run simulation from the source to monitor n, placed after:
         n=0 ...  source
         n=1 ...  guide A
         n=2 ...  guide B
         n=3 ...  collimator 1
         n=4 ...  monochromator
         n=5 ...  collimator 2 A
         n=6 ...  collimator 2 B
         n=7 ...  Vanad sample (transmission)
         n=8 ...  collimator 3
         n=9 ...  analyzer
         n=10 ... collimator 4
Use PLOT command to view the result.
TAS Simulates TAS resolution function R(Q,E). Returns Vanad scan width. Other output will be added in next versions.
ROCK [nev np dth] simulate rocking curve of the monochromator using narrow, parallel and monochromatic beam
         nev .. number of eventsx1000 per point (default 1)
         np  .. number of points
         dth .. angular step [min]
Use MPROF command to view the result.
SHELL permits to perform a single shell command

Note:
Full set of parameters describing instrument components is written to the file 'res_setup.txt' after each simulation (commands NFLUX, ROCK, PWD etc..).