At the beginning, the program shows a short logo and prompts you for the batch file name:
batch file :
give the name of your job file (e.g. strain.job from the ./demo folder) or press <enter> to work interactively.
In the interactive mode, the program asks you to select energy units,
Energy In m[eV] Or T[Hz]? (meV)m
Units Are [meV]
absolute path, where the data files will be searched for,
Path to the spectra files - ../data/
and the name of the file with the RESCAL input parameters or experimantal data compatible with the ILL format,
Name of a parameter or data file - strain.res
and waits for your commands,
You can type the help command to view a brief list of commands accepted by the program and their meaning. If a file simres.hlp is present in the current directory, program lists this file instead of the built-in list. You can edit "simres.hlp" to your convenience.
Example: List of the parameters, which can be modified from the command line:
DM = 3.13500 DA = 3.13500
ETAM = .00 ETAA = .00 ETAS = .01
SM = -1. SS = 1. SA = -1.
KFIX = 4.47753 FX = 2.
ALF1 = 500.00 ALF2 = 500.00 ALF3 = 500.00 ALF4 = 500.00
BET1 = .00 BET2 = .00 BET3 = .00 BET4 = .00
AS = 5.6576 BS = 5.6576 CS = 5.6576
AA = 90.0000 BB = 90.0000 CC = 90.0000
AX = -1.0000 AY = -1.0000 AZ = .0000
BX = .0000 BY = .0000 BZ = -1.0000
QH = -.2500 QK = -.2500 QL = 4.0000 EN = 8.2800
DH = .0100 DK = .0100 DL = .0000 DE = .0000
GH = 1.0000 GK = 1.0000 GL = .0000 GMOD = -19.0000
ROMH = .090 ROMV = 1.500 ROAH = .190 ROAV = 3.2000
SDI = 1.00 SHI = 2.00
DTH = 1.5
To modify QH,QK,QL and EN, type e.g.
ResTrax>qh .25 .25 4 8.3
QH = 0.2500000 QK = 0.2500000 QL = 4.000000 EN = 8.300000
List of variables recognized by the command interpreter:
|DM,DA||dhkl of monochromator and analyzer||
|ETAM,ETAA,ETAS||mosaic widths (fwhm) of monochromator, analyzer and sample||
|SM,SS,SA||scattering sense for monochromator, analyzer and sample (+-1)||
|KFIX, FX||length of the fixed neutron wave-vector; FX=1 fixed ki; FX=2 fixed kf||
|ALF1 .. ALF4||divergence (horizontal) of the
horizontal soller collimators
=0 no collimator, >500 course collimator (no lamellae)
|BET1 .. BET4||the same vertically||
|AS,BS,CS||parameters of the sample unit cell||
|AA,BB,CC||angles of the sample unit cell||
|components of the two vectors defining the scattering plane||
|QH,QK,QL,EN||position of the center of scan in momentum and energy||
|DH,DK,DL,DE||scan increments in Q and E||
|GH,GK,GL,GMOD||components of the gradient of the dispersion surface and its module||
|ROMH,ROMV||horizontal and vertical curvatures (1/radius) of monochromator||
|ROAH,ROAV||the same for analyzer||
|SDI,SHI||sample diameter and height||
|DTH||step for detector scan (powder diffractometer)||
rlu ... reciprocal lattice units
en ... energy units, meV or THz according to the initial choice
You can also edit your configuration file interactively.
Configuration file format:
Each component in the file is described by 2 rows, the first one (actually not read by the program) contains head with the parameter names, the second one contains parameter values in free format. All dimensions are given in [cm].
title (max.60 characters):
sample setup for RESTRAX 4.6
This name will appear on the printed output.
0 10. 8. 8.
Source shapecan be circular (0), rectangular (1) or elliptical (2), diameteris used if shape=0, widthand heightis used if shape>1.
n-guide A(gap,length,hor1,hor2,ver1,ver2,ro[m-1], gh, gv [Ni nat.].
0. 370. 3.8 3.1 20. 20. 0 2. 2. 1 1
n-guide B (present, distance,length,hor1,hor2,ver1,ver2,ro[m-1], gh, gv [Ni nat.]. nlam,dlam):
1 590. 8750. 3 3 20. 20. 3.704e-5 2. 2. 1 1
This items describe in-pile collimation, typically neutron guide, but possibly also windows in the shutter etc.. Together with the "collimator 1" it permits to define neutron guide or more complicated in pile collimation. The first parameter in section B specifies whether these 2 segments are present (>0 yes, 0 no). The other parameters have the meaning common for all "collimator components".
monochromator (chi,aniz.,poiss.,thick.,height,length, segments hor.,vert.,slabs
10.0 1 0.3 1.0 25. 9. 1 25 5
chi ... crystal cutting angle [deg], 0 for the symmetric Bragg reflection
aniz ... ratio btw. the vertical and horizontal mosaicity
poiss ... Poisson constant for the elastically bent crystals (usually about 0.3)
thick.,height,length ... crystal dimensions
segments : 3 integers defining the number of segments horizontally, vertically and the number of slabs in a sandwich. The last number is optional.
analyzer (chi,aniz.,poiss.,thick.,height,length, segments hor.,vert.,slabs
0.0 1 0.15 0.9 12. 12.0 1 3
The same as for the monochromator.
1 4.0 3.0 5.0
The same as for the source.
900. 210. 150. 70.
Distances between the source, monochromator, sample , analyzer and detector. If the n-guide is present, the first distance is measured from the exit of the guide, otherwise from the source.
1st collimator (distance,length,hor1,hor2,ver1,ver2,ro[m-1],
gh, gv [Ni nat.]. nlam,dlam):
50. 900. 3.5 3.5 20 20 0. 2.0 2.0 1 1
2nd collimator A (gap,length,hor1,hor2,ver1,ver2,ro[m-1], gh, gv [Ni nat.]. nlam,dlam):
1. 0. 20. 20. 20. 20 0. 0. 0. 0 0
2nd collimator B (distance,length,hor1,hor2,ver1,ver2,ro[m-1], gh, gv [Ni nat.]. nlam,dlam):
140. 45. 9. 2.25 7.0 2.0 0. 0. 0. 0 0 45 0.025
3nd collimator (distance,length,hor1,hor2,ver1,ver2,ro[m-1], gh, gv [Ni nat.]. nlam,dlam):
1. 45. 0.1 9. 2.0 7.0 0. 0. 0. 0 0
4th collimator (distance,length,hor1,hor2,ver1,ver2,ro[m-1], gh, gv [Ni nat.]. nlam,dlam):
10. 10. 20. 20. 20. 20. 0. 0. 0. 0 0
items describe the collimators between the source (after n-guide), monochromator,
sample , analyzer and detector. The meaning of parameters is described
in the section on "collimator
components". The collimator between monochromator and sample has
2 sections. The 1st number of the A-section is the gap (not distance)
between the both sections.