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Integration of macromolecular diffraction data
International Tables for Crystallography (2012). Vol. F, ch. 11.2, pp. 266-271 [ doi:10.1107/97809553602060000831 ]
... images recorded by an X-ray detector. When collecting data, a decision has to be taken about the magnitude of the ... comparable to, or greater than, the angular reflection range of a typical reflection (coarse [varphi] slicing), or it can be much ... be considered in the following analysis. When collecting data with a 2D area detector, a decision has to be taken ...
Profile fitting partially recorded reflections
International Tables for Crystallography (2012). Vol. F, Section 11.2.6.8, p. 271 [ doi:10.1107/97809553602060000831 ]
... fitting is applied to partially recorded reflections this leads to a systematic error in the individual intensities, but there is no ...
[more results from section 11.2.6 in volume F]
The effect of instrument or detector errors
International Tables for Crystallography (2012). Vol. F, Section 11.2.5.3, p. 268 [ doi:10.1107/97809553602060000831 ]
... be in the range 0.002-0.003. An experiment in which a diffraction spot recorded on photographic film was scanned many times ... positioning the reading head, due to vibration or mechanical defects. A simple model for the instrumental contribution to the standard deviation ... spot peak: where is the average gradient and K is a proportionality constant. Taking a triangular reflection profile, the gradient ...
[more results from section 11.2.5 in volume F]
The measurement box
International Tables for Crystallography (2012). Vol. F, Section 11.2.4, p. 267 [ doi:10.1107/97809553602060000831 ]
... the sample holder and the specimen itself gives rise to a general background in the images which has to be subtracted ... used for evaluating the intensity (peak pixels) are defined using a `measurement box'. This is a rectangular box of pixels centred on the predicted spot ...
Methods of integration
International Tables for Crystallography (2012). Vol. F, Section 11.2.3, pp. 266-267 [ doi:10.1107/97809553602060000831 ]
... pixel values for all pixels lying within the area of a spot, and then subtracting the estimated background contribution to the ... intensities. As will be shown later, profile fitting results in a reduction in the random error associated with weak intensities, but ... in single crystal diffractometry. Acta Cryst. A25, 43-55. Ford, G. C. (1974). Intensity determination by profile fitting applied ...
Detector parameters
International Tables for Crystallography (2012). Vol. F, Section 11.2.2.2, p. 266 [ doi:10.1107/97809553602060000831 ]
... rotation axis, and the direct-beam position can move after a beam refill at a synchrotron. For image-plate detectors with two (or more) plates ... the detector to an accuracy of 20-30µm, or a fraction of the pixel size, particularly for highly collimated ...
[more results from section 11.2.2 in volume F]
Introduction
International Tables for Crystallography (2012). Vol. F, Section 11.2.1, p. 266 [ doi:10.1107/97809553602060000831 ]
... be considered in the following analysis. When collecting data with a 2D area detector, a decision has to be taken about the magnitude of the ... comparable to, or greater than, the angular reflection range of a typical reflection (coarse [varphi] slicing), or it can be ...
International Tables for Crystallography (2012). Vol. F, ch. 11.2, pp. 266-271 [ doi:10.1107/97809553602060000831 ]
... images recorded by an X-ray detector. When collecting data, a decision has to be taken about the magnitude of the ... comparable to, or greater than, the angular reflection range of a typical reflection (coarse [varphi] slicing), or it can be much ... be considered in the following analysis. When collecting data with a 2D area detector, a decision has to be taken ...
Profile fitting partially recorded reflections
International Tables for Crystallography (2012). Vol. F, Section 11.2.6.8, p. 271 [ doi:10.1107/97809553602060000831 ]
... fitting is applied to partially recorded reflections this leads to a systematic error in the individual intensities, but there is no ...
[more results from section 11.2.6 in volume F]
The effect of instrument or detector errors
International Tables for Crystallography (2012). Vol. F, Section 11.2.5.3, p. 268 [ doi:10.1107/97809553602060000831 ]
... be in the range 0.002-0.003. An experiment in which a diffraction spot recorded on photographic film was scanned many times ... positioning the reading head, due to vibration or mechanical defects. A simple model for the instrumental contribution to the standard deviation ... spot peak: where is the average gradient and K is a proportionality constant. Taking a triangular reflection profile, the gradient ...
[more results from section 11.2.5 in volume F]
The measurement box
International Tables for Crystallography (2012). Vol. F, Section 11.2.4, p. 267 [ doi:10.1107/97809553602060000831 ]
... the sample holder and the specimen itself gives rise to a general background in the images which has to be subtracted ... used for evaluating the intensity (peak pixels) are defined using a `measurement box'. This is a rectangular box of pixels centred on the predicted spot ...
Methods of integration
International Tables for Crystallography (2012). Vol. F, Section 11.2.3, pp. 266-267 [ doi:10.1107/97809553602060000831 ]
... pixel values for all pixels lying within the area of a spot, and then subtracting the estimated background contribution to the ... intensities. As will be shown later, profile fitting results in a reduction in the random error associated with weak intensities, but ... in single crystal diffractometry. Acta Cryst. A25, 43-55. Ford, G. C. (1974). Intensity determination by profile fitting applied ...
Detector parameters
International Tables for Crystallography (2012). Vol. F, Section 11.2.2.2, p. 266 [ doi:10.1107/97809553602060000831 ]
... rotation axis, and the direct-beam position can move after a beam refill at a synchrotron. For image-plate detectors with two (or more) plates ... the detector to an accuracy of 20-30µm, or a fraction of the pixel size, particularly for highly collimated ...
[more results from section 11.2.2 in volume F]
Introduction
International Tables for Crystallography (2012). Vol. F, Section 11.2.1, p. 266 [ doi:10.1107/97809553602060000831 ]
... be considered in the following analysis. When collecting data with a 2D area detector, a decision has to be taken about the magnitude of the ... comparable to, or greater than, the angular reflection range of a typical reflection (coarse [varphi] slicing), or it can be ...
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