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Phase identification of all XRD spectra was completed with X'Pert HighScore Plus (PANAnalytical) with Rietveld refinements completed using the GSAS and EXPGUI software package [35].
Refinement was completed with Phenix.refine and Coot80.
Rietveld refinement was completed with using PANalytical X'pert HighScore Plus software.
Model building and refinement were completed using COOT and PHENIX.
Ligand and water molecules were added at this stage and refinement was completed using BUSTER (Blanc et al., 2004).
In 1871 J.B. Stearns of the United States completed refinement of the duplex transmission system originated in Germany by Wilhelm Gintl, which allowed the same line to be used simultaneously for sending and receiving, thus doubling its capacity.
When the four vertices have been processed and the corresponding PTVs are obtained, a full refinement iteration is completed, and the algorithm proceeds to step 4. 4.
Model refinement may be completed throughout the adult PBPK model development process, and the final adult PBPK structure and drug-specific inputs are held constant in pediatric PBPK model creation.
In other words, whenever uiBestDistance is equal to 0, the refinement process is successfully completed.
After refinement with REFMAC had been completed, SHELXL-2013 was used for 10 cycles of CGLS refinement and one full-matrix cycle of least-squares refinement (BLOC 1) with no restraints applied for the coenzyme, to calculate bond distances and angles and their errors for the nicotinamide ring and ligand interactions.
The full refinements have now been completed.
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