HKL2000 for Manias HKL manualより抜粋
Denzo IP
We would like to have some information about the output files *.x of Denzo . Regular (film output file, Denzo _ip) imaging plate output format (i.e. the format you would you to read in in FORTRAN) is:
format (3i4,i2,2f8.0,f7.0,f6.0,f6.0,2f7.0,f6.0,f8.0)
- h,k,l
- Flag 0 - full 1 - partial
- Intensity (F**2) by profile fitting
- σ of intensity (F**2)
- χ2 of profile fitting
- Intensity (F**2) by profile summation
- Cosine of incidence angle at detector
- Predicted pixel position of spot centroid (slow, fast) directions
- Lorentz, polarization, obliquity combined factor
Strength of averaged profile in arbitrary units
Denzo York
Alternative, (york output file, Denzo _york1) format is:
format (3i4,i2,2f8.0,f7.0,f6.0,f6.0,2f7.0,f6.0,f8.0)
- h,k,l
- Flag 0 - full 1 - partial
- Intensity (F**2) by profile fitting
- σ of intensity (F**2)
- χ2 of profile fitting
- Intensity (F**2) by profile summation
- Cosine of incidence angle at detector
- Predicted pixel position of spot centroid (slow, fast) directions
- Lorentz, polarization, obliguity combined factor
- Strength of averaged profile in arbitrary units
- Partiality (fraction of the intensity of the reflection extected in this image)
- Diffraction angle (degrees)
- The last may be very useful when preparing input to program SCALA