Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry
Abstract: A simple, physically based model that allows the whole-pattern profile fitting of diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry is presented. In this arrangement, there is a fixed angle between the incident beam and the sample, resulting in a fixed-l...
| Main Authors: | , |
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| Format: | Journal Article |
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IUCr Journals
2010
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| Online Access: | http://hdl.handle.net/20.500.11937/36885 |
| _version_ | 1848754894990737408 |
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| author | Rowles, Matthew Madsen, I. |
| author_facet | Rowles, Matthew Madsen, I. |
| author_sort | Rowles, Matthew |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Abstract: A simple, physically based model that allows the whole-pattern profile fitting of diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry is presented. In this arrangement, there is a fixed angle between the incident beam and the sample, resulting in a fixed-length beam footprint. The use of a wide-angle detector for the simultaneous detection of the data precludes the use of any diffracted beam optics. Therefore, the observed peak widths are a function of the length of the beam footprint on the sample. The model uses up to three refinable parameters, depending on the intensity profile of the beam, to calculate the effect of diffraction angle on the width of all diffracted peaks. The use of this model reduces the total number of parameters required to fit the observed peak widths and shapes, hence leading to increased stability in the profile analysis. Implementations of the model are provided for both fundamental parameters and empirical approaches. |
| first_indexed | 2025-11-14T08:47:40Z |
| format | Journal Article |
| id | curtin-20.500.11937-36885 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T08:47:40Z |
| publishDate | 2010 |
| publisher | IUCr Journals |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-368852018-10-01T01:50:45Z Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry Rowles, Matthew Madsen, I. Abstract: A simple, physically based model that allows the whole-pattern profile fitting of diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry is presented. In this arrangement, there is a fixed angle between the incident beam and the sample, resulting in a fixed-length beam footprint. The use of a wide-angle detector for the simultaneous detection of the data precludes the use of any diffracted beam optics. Therefore, the observed peak widths are a function of the length of the beam footprint on the sample. The model uses up to three refinable parameters, depending on the intensity profile of the beam, to calculate the effect of diffraction angle on the width of all diffracted peaks. The use of this model reduces the total number of parameters required to fit the observed peak widths and shapes, hence leading to increased stability in the profile analysis. Implementations of the model are provided for both fundamental parameters and empirical approaches. 2010 Journal Article http://hdl.handle.net/20.500.11937/36885 10.1107/S0021889810007673 IUCr Journals fulltext |
| spellingShingle | Rowles, Matthew Madsen, I. Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry |
| title | Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry |
| title_full | Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry |
| title_fullStr | Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry |
| title_full_unstemmed | Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry |
| title_short | Whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry |
| title_sort | whole-pattern profile fitting of powder diffraction data collected in parallel-beam flat-plate asymmetric reflection geometry |
| url | http://hdl.handle.net/20.500.11937/36885 |