SaveGSASInstrumentFile v1¶

See Also¶

LoadGSASInstrumentFile, SaveGSS

Supported peak profiles¶

• Time-of-flight back-to-back exponential convoluted with pseudo-voigt (in future)
  • Fullprof: Profile 9;
  • GSAS: Type 3 TOF profile.
• Thermal neutron time-of-flight back-to-back exponential convoluted with pseudo-voigt (implemented)
  • Fullprof: Profile 10;
  • GSAS: tabulated peak profile.

Supported input Fullprof file¶

There can be several types of Fullprof files as the input file

• resolution file .irf (implemented)
• configuration file .pcr (in future)

Set up \(2\theta\)¶

There are several places in this algorithm that can set the value of \(2\theta\). From the highest priority, here is the list how \(2\theta\) is set up.

1. Algorithms’ input property TwoTheta;
2. Either input TableWorkspace or input Fullprof resolution (.irf) file;
3. Hard coded default “TwoTheta” of a certain instrument.

Set up \(L_1\)¶

There are 2 places in this algorithm that can set the value of \(L_1\). From the highest priority, here is the list how \(2\theta\) is set up.

1. Algorithms’ input property L1;
2. Hard coded default “TwoTheta” of a certain instrument.

Calculation of \(L_2\)¶

• If “TwoTheta” (\(2\theta\)) is given, L2 will be calculated from given 2Theta and L1 by \(DIFC = 252.816\cdot2sin(\theta)\sqrt{L1+L2}\). Notice that \(2\theta\) given in input .irf file may have subtle difference to “2Theta”, which is input by user in order to calculate L2.
• If “2Theta” (\(2\theta\)) is not given, L2 will be read from user input.