A NEW THEORETICAL METHOD FOR THE CALCULATION OF ABSOLUTE STRUCTURE AMPLITUDES FROM THE PATTERSON FUNCTION
| dc.creator | Goldak, G. R. | |
| dc.date.accessioned | 2024-05-24T16:00:16Z | |
| dc.date.available | 2024-05-24T16:00:16Z | |
| dc.date.issued | 1967-03 | |
| dc.date.submitted | March 1967 | |
| dc.description.abstract | A method is presented for the determination of absolute-scale structure amplitudes from the Patterson function. The Debye temperature factors are determined from the "shape" of the Patterson zero maximum, after which the scale factor is calculated from the value of the zero maximum at the origin. Average isotropic temperature factors, individual temperature factors, or an average anisotropic temperature factor can be treated. The method has been extensively tested, using both computed and experimental data, to provide an assessment of the errors which may be expected for different types of crystals. The tests indicate that the accuracy of the method is very high and that in nearly all cases the scale factor can be determined to within a few per cent. Although the calculations are somewhat more involved than those required for Wilson's method, a set of about 5000 structure amplitudes can be scaled in 5 to 10 minutes on a computer of moderate size and speed. | |
| dc.identifier.uri | https://hdl.handle.net/10388/15697 | |
| dc.title | A NEW THEORETICAL METHOD FOR THE CALCULATION OF ABSOLUTE STRUCTURE AMPLITUDES FROM THE PATTERSON FUNCTION | |
| dc.type.genre | Thesis | |
| thesis.degree.department | Geological Sciences | |
| thesis.degree.grantor | University of Saskatchewan | en_US |
| thesis.degree.level | Doctoral | |
| thesis.degree.name | Doctor of Philosophy (Ph.D.) |