
  discambMATTS2tsc, version 3.009
  compiled on Feb 13 2025 , 13:28:46.

Uses files urea.cif & urea.hkl


file created at Thu Feb 20 17:53:27 2025

Atomic form factors for electron scattering calculated with
The Hansen - Coppens model parameterized with MATTS databank.

Atom type assigned to 5 of 5.
Atoms with assigned atom types and local coordinate systems:
    O1   O108    X C1 Y N1(-X+1,-Y+2,Z)
    C1   C308    Z O1 X N1(-X+1,-Y+2,Z)
    N1   N310    Z C1 X H1a
   H1a   H107    Z N1 X C1
   H1b   H107    Z N1 X C1

Citation
If you used discambMATTS2tsc in your work please add the following text
to the resulting.cif file :
_refine_special_details
;
TAAM / MATTS refinement.
Uses aspherical atomic scattering factors computed by the DiSCaMB library
(Chodkiewicz et.al., J.Appl.Cryst., 2018, 51, 193 - 199)
from multipole model
(Hansen & Coppens, Acta Cryst.A, 1978, 34, 909 - 921)
parametrized using the MATTS2021 data bank
(Jha, et al., J.Chem.Inf.Model., 2022, 62, 3752 - 3765,
    Rybicka, et al., J.Chem.Inf.Model., 2022, 62, 3766 - 3783)
Refinement performed with.tsc generated by discamb2TAAMtsc 3.009
;
and in your publication, please, cite:
Chodkiewicz et.al., J.Appl.Cryst., 2018, 51, 193 - 199
Hansen & Coppens, Acta Cryst.A, 1978, 34, 909 - 921
Jha, et al., J.Chem.Inf.Model., 2022, 62, 3752 - 3765
Rybicka, et al., J.Chem.Inf.Model., 2022, 62, 3766 - 3783
