HAR refinement of diffuse scattering in tris-tert-butyl-1,3,5-benzene tricarboxamide

Molecular Form factors and diffuse scattering data in the yell 1.0 format: Name Description experimental.tsc Calculated HAR form factors experiment_new.h5 Experimental diffuse scatteing data Fa_Spherical_adp_real.h5 Real part of molecular form factor IAM model Fa_Spherical_adp_imag.h5 Imaginary part of molecular form factor IAM model Fa-Fb_Spherical_adp.h5 Form factor difference IAM model Fa_NonSpherical_adp_real.h5 Real part of molecular form factor HAR model Fa_NonSpherical_adp_imag.h5 Imaginary part of molecular form factor HAR model Fa-Fb_NonSpherical_adp.h5 Form factor difference HAR model FitSpherical_adp.h5 Refined diffuse scattering IAM model CSRO only FitNonSpherical_adp.h5 Refined diffuse scattering HAR model CSRO only Fit_Spherical_adp_disp.h5 Refined diffuse scattering IAM model CSRO and displacement parameters FitNonSpherical_adp.h5 Refined diffuse scattering HAR model CSRO and displacement parameters