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DENZO and SCALEPACK
International Tables for Crystallography (2012). Vol. F, ch. 11.4, pp. 282-295 [ doi:10.1107/97809553602060000833 ]
... type , with [P] representing the reduced triclinic primitive cell, and [M] is one of the 44 matrices listed in IT A ... the diffraction condition is fulfilled, is in the range, otherwise M = 0. The actual width of the reflection is different due ... polynomials result in a positional error (r.m.s.) lower than 7µm, which is about one tenth of a typical detector ...
HKL-2000 and HKL-3000
International Tables for Crystallography (2012). Vol. F, Section 11.4.12, pp. 292-294 [ doi:10.1107/97809553602060000833 ]
... tools for molecular graphics. Acta Cryst. D60, 2126-2132. Chruszcz, M., Wlodawer, A. & Minor, W. (2008). Determination of protein structures ... series of fortunate events. Biophys. J. 95, 1-9. Grabowski, M., Joachimiak, A., Otwinowski, Z. & Minor, W. (2007). Structural genomics ... universe. Curr. Opin. Struct. Biol. 17, 347-353. Minor, W., Cymborowski, M. & Otwinowski, Z. (2002). Automatic system for crystallographic ...
Detector diagnostics
International Tables for Crystallography (2012). Vol. F, Section 11.4.11, p. 292 [ doi:10.1107/97809553602060000833 ]
Detector diagnostics 11.4.11. Detector diagnostics The HKL package has a number of tools that can detect possible detector or experimental setup problems (Otwinowski & Minor, 1997; Otwinowski et al., 2003). Visual inspection of the image may provide only a very rough estimate of data quality. A check of the analogue-to ...
Merging and signal validation
International Tables for Crystallography (2012). Vol. F, Section 11.4.10.3, p. 292 [ doi:10.1107/97809553602060000833 ]
... isomorphism (Borek et al., 2007, 2010). References Borek, D., Cymborowski, M., Machius, M., Minor, W. & Otwinowski, Z. (2010). Diffraction data analysis ...
[more results from section 11.4.10 in volume F]
Global refinement or post refinement
International Tables for Crystallography (2012). Vol. F, Section 11.4.9, p. 291 [ doi:10.1107/97809553602060000833 ]
... Isaac & S. Bailey, pp. 114-123. Warrington: Daresbury Laboratory. Rossmann, M. G. (1979). Processing oscillation diffraction data for very large ...
Stabilization of scaling parameters based on prior knowledge
International Tables for Crystallography (2012). Vol. F, Section 11.4.8.2, pp. 290-291 [ doi:10.1107/97809553602060000833 ]
Stabilization of scaling parameters based on prior knowledge 11.4.8.2. Stabilization of scaling parameters based on prior knowledge The unknown parameters in equation (11.4.8.4) are estimated with various level of uncertainty depending on the multiplicity of observations and how symmetry-equivalent reflections are related to each other. Potentially, this may result in ...
[more results from section 11.4.8 in volume F]
Integration of diffraction maxima by profile fitting
International Tables for Crystallography (2012). Vol. F, Section 11.4.7, p. 289 [ doi:10.1107/97809553602060000833 ]
Integration of diffraction maxima by profile fitting 11.4.7. Integration of diffraction maxima by profile fitting To accurately integrate diffraction peaks, the spot position has to be predicted accurately. Each integration program has its own procedure for predicting and fitting diffraction profiles. In DENZO, profile-shape prediction is defined by a weighted ...
Detector distortions
International Tables for Crystallography (2012). Vol. F, Section 11.4.6.3, p. 289 [ doi:10.1107/97809553602060000833 ]
... polynomials result in a positional error (r.m.s.) lower than 7µm, which is about one tenth of a typical detector pixel. ...
[more results from section 11.4.6 in volume F]
Refinement and calibration
International Tables for Crystallography (2012). Vol. F, Section 11.4.5.12, p. 288 [ doi:10.1107/97809553602060000833 ]
Refinement and calibration 11.4.5.12. Refinement and calibration Both the refinement and calibration procedures determine the properties of the instrument. The principal difference between refinement and calibration is that calibration is performed with data not obtained during the current diffraction experiment, and refinement uses data obtained during the current diffraction experiment. DENZO ...
[more results from section 11.4.5 in volume F]
Beam-2[theta]
International Tables for Crystallography (2012). Vol. F, Section 11.4.4.4, p. 285 [ doi:10.1107/97809553602060000833 ]
Beam-2[theta] 11.4.4.4. Beam-2[theta] The description of generalized multiple-axis goniostats introduced a conceptual change in the DENZO coordinate system. The data-collection axis can be oriented in any direction, so in principle rotx, roty and rotz no longer need to be defined relative to the data-collection ...
[more results from section 11.4.4 in volume F]
International Tables for Crystallography (2012). Vol. F, ch. 11.4, pp. 282-295 [ doi:10.1107/97809553602060000833 ]
... type , with [P] representing the reduced triclinic primitive cell, and [M] is one of the 44 matrices listed in IT A ... the diffraction condition is fulfilled, is in the range, otherwise M = 0. The actual width of the reflection is different due ... polynomials result in a positional error (r.m.s.) lower than 7µm, which is about one tenth of a typical detector ...
HKL-2000 and HKL-3000
International Tables for Crystallography (2012). Vol. F, Section 11.4.12, pp. 292-294 [ doi:10.1107/97809553602060000833 ]
... tools for molecular graphics. Acta Cryst. D60, 2126-2132. Chruszcz, M., Wlodawer, A. & Minor, W. (2008). Determination of protein structures ... series of fortunate events. Biophys. J. 95, 1-9. Grabowski, M., Joachimiak, A., Otwinowski, Z. & Minor, W. (2007). Structural genomics ... universe. Curr. Opin. Struct. Biol. 17, 347-353. Minor, W., Cymborowski, M. & Otwinowski, Z. (2002). Automatic system for crystallographic ...
Detector diagnostics
International Tables for Crystallography (2012). Vol. F, Section 11.4.11, p. 292 [ doi:10.1107/97809553602060000833 ]
Detector diagnostics 11.4.11. Detector diagnostics The HKL package has a number of tools that can detect possible detector or experimental setup problems (Otwinowski & Minor, 1997; Otwinowski et al., 2003). Visual inspection of the image may provide only a very rough estimate of data quality. A check of the analogue-to ...
Merging and signal validation
International Tables for Crystallography (2012). Vol. F, Section 11.4.10.3, p. 292 [ doi:10.1107/97809553602060000833 ]
... isomorphism (Borek et al., 2007, 2010). References Borek, D., Cymborowski, M., Machius, M., Minor, W. & Otwinowski, Z. (2010). Diffraction data analysis ...
[more results from section 11.4.10 in volume F]
Global refinement or post refinement
International Tables for Crystallography (2012). Vol. F, Section 11.4.9, p. 291 [ doi:10.1107/97809553602060000833 ]
... Isaac & S. Bailey, pp. 114-123. Warrington: Daresbury Laboratory. Rossmann, M. G. (1979). Processing oscillation diffraction data for very large ...
Stabilization of scaling parameters based on prior knowledge
International Tables for Crystallography (2012). Vol. F, Section 11.4.8.2, pp. 290-291 [ doi:10.1107/97809553602060000833 ]
Stabilization of scaling parameters based on prior knowledge 11.4.8.2. Stabilization of scaling parameters based on prior knowledge The unknown parameters in equation (11.4.8.4) are estimated with various level of uncertainty depending on the multiplicity of observations and how symmetry-equivalent reflections are related to each other. Potentially, this may result in ...
[more results from section 11.4.8 in volume F]
Integration of diffraction maxima by profile fitting
International Tables for Crystallography (2012). Vol. F, Section 11.4.7, p. 289 [ doi:10.1107/97809553602060000833 ]
Integration of diffraction maxima by profile fitting 11.4.7. Integration of diffraction maxima by profile fitting To accurately integrate diffraction peaks, the spot position has to be predicted accurately. Each integration program has its own procedure for predicting and fitting diffraction profiles. In DENZO, profile-shape prediction is defined by a weighted ...
Detector distortions
International Tables for Crystallography (2012). Vol. F, Section 11.4.6.3, p. 289 [ doi:10.1107/97809553602060000833 ]
... polynomials result in a positional error (r.m.s.) lower than 7µm, which is about one tenth of a typical detector pixel. ...
[more results from section 11.4.6 in volume F]
Refinement and calibration
International Tables for Crystallography (2012). Vol. F, Section 11.4.5.12, p. 288 [ doi:10.1107/97809553602060000833 ]
Refinement and calibration 11.4.5.12. Refinement and calibration Both the refinement and calibration procedures determine the properties of the instrument. The principal difference between refinement and calibration is that calibration is performed with data not obtained during the current diffraction experiment, and refinement uses data obtained during the current diffraction experiment. DENZO ...
[more results from section 11.4.5 in volume F]
Beam-2[theta]
International Tables for Crystallography (2012). Vol. F, Section 11.4.4.4, p. 285 [ doi:10.1107/97809553602060000833 ]
Beam-2[theta] 11.4.4.4. Beam-2[theta] The description of generalized multiple-axis goniostats introduced a conceptual change in the DENZO coordinate system. The data-collection axis can be oriented in any direction, so in principle rotx, roty and rotz no longer need to be defined relative to the data-collection ...
[more results from section 11.4.4 in volume F]
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