HKL_T
Define the type of hkl data
HKL_T n
N |
Format |
Comments |
0 |
Shelx (3i4,2f8.2) type: HKLF 4: h,k,l,F2,σ(F2) |
CELL and WAVE should be given |
1 |
Read h,k,l, Intensity and Sigma in free format |
CELL and WAVE should be given |
2 |
Data from COLL5 (2 lines per reflection) (D23): *.fsq Format of the reflections file => (i6,3f7.3,2f10.2,3f8.2) For reading the items: Numor, h k l Int Sigma gamma nu phi |
hkl are reals CELL and WAVE should be given |
3 |
FullProf codename.int file |
1st Line: comment 2sd Line: contents the format of the hkl lines 3rd Line: value of the wavelength Rest lines: h,k,l, Intensity, σ(I), code, 2θ, ω, ψ, ϕ |
4 |
Data from COLL5 (1 line per reflection) *.col Format of the reflections file => (i6,3i4,2f10.2,4f8.2) For reading the items: Numor, h k l Int Sigma theta omega chi phi |
hkl are integers |
5 |
Data from COLL5 (1 line per reflection) *.col Format of the reflections file => (i6,3f6.2,f8.0,f4.0,4f8.2) For reading the items: Numor, h k l Int Sigma theta omega chi phi |
hkl are reals |
6 |
Data from COLL5 (1 line per reflection) *.col Format of the reflections file => (i4,3f6.2,2f10.2,4f8.2) For reading the items: Numor, h k l Int Sigma theta omega chi phi |
hkl are reals The only difference between 6 and 4 is in the format i4,3f6.2 for the former to read the Numor and indices. (From 6T2) |
7 |
Data from SXD (RAL-ISIS) Test of FullProf with data from SXD # The first line above is considered as a title # Lines starting with # or ! are coments ! This is also a comment ! ! The program looks for a format item of the form given ! below. It must start by "(" and finish with ")". It is ! a typical format descriptor in fortran. It is expected ! to read the items described below as titles of the ! colums (3i4,2f9.2,i4,4f10.4) 0 0 0 # Information about the experiment # bla,bla,.... # #h k l Fsq s(Fsq) Cod Lambda 2theta Absorp Tbar 1 5 0 533.01 13.53 1 2.8300 151.32 1.002 0.075 |
to be read by FullProf |
FullProf Suite 2010