5. Input data
- 5.1. Input parameters
- 5.1.1. List of input parameters
- 5.2. Data format
- 5.2.1. ILL data format
- 5.2.2. 3-column format
- 5.3. TAS configuration file
- 5.3.1. Configuration file format
- 5.3.2. Collimator components
5.1. Input parameters
(*.res files)
The basic set of TAS parameters is compatible, apart of some extensions, with the older program RESCAL. These parameters are entered interactively from the command line or loaded via the FILE command from a *.res file (an ASCII file containing a sequence of real numbers) or from the header of an ILL data file.
To modify a value, use the syntax
ResTrax> name value [value …]
Several parameter values can be modified simultaneously in the sequence as they appear in the list. For example
ResTrax> QH 2 2 0.5 12
would set all the QH, QK, QL and EN values.
The list of actual values can be obtained by the LIST command:
ResTrax> LIST
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 DA3 = 0.0000 DA4 = 0.0000
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
5.1.1. List of input parameters
DM,DA | dhkl of the monochromator and analyzer | |
ETAM,ETAA,ETAS | mosaic widths (fwhm) of monochromator, analyzer and sample | |
SM,SS,SA | signs of scattering angles for monochromator, analyzer and sample | |
KFIX,FX | fixed neutron wave-vector; FX=1 fixed ki; FX=2 fixed kf | |
ALF1 .. ALF4 | divergence (horizontal) of the soller collimators =0 no collimator, ≥500 coarse collimator (no lamellae) |
|
BET1 .. BET4 | the same for vertical divergence | |
AS,BS,CS | sample unit cell parameters | |
AA,BB,CC | sample unit cell angles | |
AX,AY,AZ BX,BY,BZ | [hkl] components of two vectors defining the scattering plane (should be perpendicular for correct representation of some plots) | |
QH,QK,QL,EN | current TAS setting in (Q,&omega) space, corresponds to the scan center | |
DH,DK,DL,DE | scan increments in (Q,&omega) | |
DA3,DA4 | step of a scan in a3 (sample rotation) and a4 (scattering anngle); DA4 should be non-zero only in the flat-cone analyzer mode, where it defines the angle between analyzer channels | |
GH,GK,GL,GMOD | components of the gradient of the dispersion surface and its module | |
ROMH,ROMV | monochromator curvatures (1/radius), horizontal and vertical | |
ROAH,ROAV | analyzer curvatures (1/radius), horizontal and vertical | |
SDI,SHI | sample diameter and height (cylindrical shape is assumed) |
rlu … reciprocal lattice units