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PRIMA program

The experimental diffraction data were analyzed by a combined technique involving Rietveld analysis, the maximum entropy method (MEM), and MEM-based pattern fitting (MPF) [10-15]. Rietveld analysis, which is used to refine the crystal structure from the powder diffraction data by a least squares method, was carried out using the RIETAN-2000 program [27], which yields structure factors and their errors after structural refinement. It is known that MEM can be used to obtain a nuclear density distribution map based on neutron structure factors and their errors [5, 6, 8, 10-15, 26-29] any type of complicated nuclear density distribution is allowed so long as it satisfies the symmetry requirements. MEM calculations were carried out using the PRIMA program [29]. To reduce the bias imposed by the simple structural model in the Rietveld refinement, an iterative procedure known as the REMEDY cycle [29] was applied after MEM analysis (Fig. 6.3). In this procedure, structure factors... [Pg.120]

A smaller (prima ) panel of targets is usually sufficient during the hit to lead phase and lead optimization phases of a drug discovery program to detect promiscuous scaffolds and... [Pg.287]

Interim Advanced Project Coordinator, Nursing Instructor Prima Community College Center for Training and Development Practical Nurse Program Tucson, Arizona... [Pg.447]

The data shown in Table 1 must be examined with regard to the thermobalance data obtained in the ICTA certification program. The prima facie expectation is that the measured Curie temperature would be near T3 of Figure 2. This is approximately true. The degree to which it is descriptive is in part dependent upon the form of the actual curve obtained on the thermobalance the slopes of the magnetic force vs. temperature vary for the several materials. [Pg.37]

Rietveld method, has been applied to describe chemical bonding, dynamic disorder, and anharmonic thermal vibration. Computer programs such as Rietan for the Rietveld analysis and PRIMA for the MEM analysis, which incorporate MEM and optimized for powder diffraction are available. [Pg.633]


See other pages where PRIMA program is mentioned: [Pg.122]    [Pg.122]    [Pg.104]    [Pg.97]    [Pg.118]    [Pg.181]    [Pg.246]    [Pg.63]    [Pg.96]    [Pg.138]   
See also in sourсe #XX -- [ Pg.120 , Pg.122 ]




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