Data files

 

The data files can contain a header but this is not compulsory.

If a header is present, it can contain the following data.

The format :  # KeyWord = MyValue  is compulsory.

At the moment 5 keywords are available :

Comment            possible value  any string

Particles          possible value    « neutrons » or « xrays »

Polarisation       possible value    « non polarised » or « polarised »

or « with spin-flip » or  « with SF high field »

AbscissesUnits     possible value    « deg » or « nm-1 »

TimeOfFlight       possible value    « True » or « False »

 

Example

# Comment = My data are of very good quality

# Particles = neutrons

# Polarisation = non polarised

# AbscissesUnits = nm-1

# TimeOfFlight = False

   0.3

3    0.7

   0.1

 

The experimental data must be given as follow :

· For non polarised particles, you can give 2 or 3 columns.
The first must be the incidence angle (°) or the Qz value (nm-1);
The second must be the measured reflectivity;
You can add a 3rd column which will be considered as the error bars on your data and can be used in weighted fits.
Example
MyAngle (°) TAB/SPACE            MyIntensity        [TAB/SPACE         Sigma]

· For polarised particles, you can give either 3 columns or 5 columns.
In the case of 3 columns, they will be considered as “theta”, “up-up”, “do-do”.
In the case of 5 columns, they will be considered as “theta”, “up-up”, “error up-up“, “do-do” and “error do-do”.
Example
MyAngle     TAB/SPACE             MyIntensity        [TAB/SPACE         Sigma]

The separator can be either a SPACE or a COMMA
Do not leave blank lines in the file,
this upsets the program (since it reads as 0 0 0)