Replace PD_AMORPHOUS with PD_AMORPHOUS_PEAK
#158
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Is it possible to add a method to give point-wise contributions of an amorphous phase to a diffractogram? |
Ah! Forgot... already possible through |
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| To maintain complete generality, amorphous peak positions are given only in | ||
| terms of d spacing, and peak intensities as relative intensities. These are | ||
| then instansiated in a specific diffractogram by related data items in |
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| then instansiated in a specific diffractogram by related data items in | |
| then instantiated in a specific diffractogram by related data items in |
| _description.text | ||
| ; | ||
| Relative integrated area for the peak. This value must be obeyed by any | ||
| peaks used in an diffractogram which are assigned to peaks in this phase. |
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| peaks used in an diffractogram which are assigned to peaks in this phase. | |
| peaks used in a diffractogram which are assigned to peaks in this phase. |
| _type.source Assigned | ||
| _type.container Single | ||
| _type.contents Word |
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All other peak ids in this dictionary seem to be of the Code content type so maybe it would make sense to change this to Code as well?
I also prefer to have case-sensitive identifiers (as would be mandated by the Word type), but it might be worthwhile to sacrifice that for consistency. Alternatively, we could have a separate PR that changes all of these identifiers to Word to make them case sensitive if that seems reasonable.
| _type.source Assigned | ||
| _type.container List | ||
| _type.dimension '[]' | ||
| _type.contents Text |
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| _type.contents Text | |
| _type.contents ByReference | |
| _type.contents_referenced_id '_pd_peak_overall.id' |
| _type.purpose Encode | ||
| _type.source Assigned | ||
| _type.container List | ||
| _type.dimension '[]' | ||
| _type.contents Code |
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| _type.contents Code | |
| _type.contents ByReference | |
| _type.contents_referenced_id '_pd_peak.id' |
| _type.contents Code | ||
| _type.container List | ||
| _type.dimension '[]' | ||
| _type.contents Text |
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| _type.contents Text | |
| _type.contents ByReference | |
| _type.contents_referenced_id '_pd_diffractogram.id' |
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This constructs simply means "Take the content type from _pd_diffractogram.id". Helps to keep the content types in sync.
will close #129
PD_AMORPHOUSwas insufficient to describe the same amorphous phase being present in more that one diffractogram; it could only link to peaks and diffractograms. The new category gives amorphous peak positions and intensities, and links them to actual instansiations by PD_PEAK in diffractograms.Essentially, an amorphous phase has peak positions and intensities, widths are an implementation detail, which is the same as how crystalline phases work.