5.2. Data format
Apart of the *.res files with TAS setting, RESTRAX can read experimental data in two text formats:
- ILL data format
- general 3-column format
The syntax rules are rather relaxed so that other data formats can be easily transformed to a form readible by RESTRAX.
5.2.1. ILL data format
The file header is optional. It should contain at least the lines describing spectrometer position and scan step, e.g.
POSQE: QH= 0.3000, QK= 0.0000, QL= 3.0000, EN= 0.2000, UN=meV
STEPS: QH = 0.0000, QK = 0.0000, QL = 0.0000, EN = 0.1000
In addition, the file header can contain any other parameters reported by the command LIST, following the syntax:
name1 = value1, name2 = value2, …
Space, comma and semi-colon delimiters are equally interpreted. One line can contain up to 256 characters.
Parameter values missing in the file header are taken from the current setting. The only obligatory item is the row starting with DATA_:
string, which identifies the end of the file header and the start of a data table below.
The data table consists of a single line with column headers and up to 129 lines with corresponding values. Items in the columns are interpreted according to the header. The table must contain at least following columns:
PNT | step numbers |
CNTS | counts |
PAL | index of polarization analysis loop (if used) |
QH,QK,QL,EN,A3 | at least one of these step variables |
The step variables must vary monotonoulsy and stand on the left from the CNTS column.
Examples of valid data files
- full header, E-scan
- simple header, A3 scan
- no header, Q-scan
- data with polarization analysis
5.2.2. 3-column format
The 3-column format differs from the ILL format by missing the DATA_:
line. It must contain at least three columns, which are interpreted as variable (col. 1), intensity (col.2) and errors (col.3). If only one of the DH,DK,DL,DEN,DA3
parameters differs from zero, no header is required and the file can consist of only three number columns. Otherwise, a table header should tell which of the scan variables is listed in the first column.
Examples of valid data files
- full header, E-scan
- simple header, A3 scan
- simple header, Q-scan
- no header (assumed E-scan)