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[Imgcif-l] Beam convergence vs divergence
- To: imgcif-l@iucr.org
- Subject: [Imgcif-l] Beam convergence vs divergence
- From: Brian McMahon via imgcif-l <imgcif-l@iucr.org>
- Date: Tue, 9 Jul 2024 15:19:38 +0100
- Cc: Brian McMahon <bm@iucr.org>
I am working with the NanED group (https://naned.eu) on extensions toCIF for 3D electron diffraction. For some techniques they use aconvergent electron beam. A typical example of their data collectionreport is: Beam Convergence Parallel beam, convergence <0.1mrad Note in this example that an upper limit is specified. imgCIF has data names _diffrn_radiation.div_x_source_diffrn_radiation.div_y_source_diffrn_radiation.div_x_y_source for beam /divergence/. A typical definition (for *_x_source) is: Beam crossfire in degrees parallel to the laboratory X axis (see AXIS category). This is a characteristic of the X-ray beam as it illuminates the sample (or specimen) after all monochromation and collimation. This is the standard uncertainty (estimated standard deviation, e.s.d.) of the directions of photons in the XZ plane around the mean source beam direction. Note that for some synchrotrons this value is specified in milliradians, in which case a conversion is needed. To convert a value in milliradians to a value in degrees, multiply by 0.180 and divide by \p. The terminology is perhaps specific to synchrotron X-ray practice. Isthis CIF item appropriate for recording an electron-beam convergence?My first thought was that a negative value could be taken to indicateconvergence instead of divergence. But on closer reading, as you aredefining this as a s.u. of scattered directions, perhaps the resultwill always be positive (in which case should that be defined withappropriate _item_range.*/_enumeration.range attributes?). Opinions welcome. ThanksBrian_________________________________________________________________________ Brian McMahonInternational Union of Crystallography e-mail: bm@iucr.org5 Abbey Square, Chester CH1 2HU, England_______________________________________________imgcif-l mailing listimgcif-l@iucr.orghttp://mailman.iucr.org/cgi-bin/mailman/listinfo/imgcif-l
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