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Results for DC.creator="W." AND DC.creator="Kabsch" in section 11.6.2 of volume F |
XDS
International Tables for Crystallography (2012). Vol. F, Section 11.6.2, pp. 304-308 [ doi:10.1107/97809553602060000835 ]
... XPLAN INTEGRATE CORRECT). IDXREF uses the methods described in Kabsch (1993; Chapter 11.3 ) to determine a crystal lattice that explains ... analysis in macromolecular crystallography. Nat. Struct. Biol. 4, 269-274. Kabsch, W. (2010). XDS. Acta Cryst. D66, 125-132. Weiss, ...
INTEGRATE
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.7, p. 307 [ doi:10.1107/97809553602060000835 ]
INTEGRATE 11.6.2.7. INTEGRATE INTEGRATE determines the intensity of each reflection predicted to occur in the rotation data images (DATA_RANGE=) and saves the results in the file INTEGRATE.HKL. The diffraction parameters needed to predict the reflection positions are initially provided by the file XPARM.XDS. These parameters are either kept constant or ...
XPLAN
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.6, pp. 306-307 [ doi:10.1107/97809553602060000835 ]
XPLAN 11.6.2.6. XPLAN XPLAN supports the planning of data collection. It is based upon information provided by the input files XPARM.XDS and BKGPIX.cbf, both of which become available on processing a few test images with XDS. XPLAN estimates the completeness of new reflection data expected to be collected for each given ...
DEFPIX
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.5, p. 306 [ doi:10.1107/97809553602060000835 ]
DEFPIX 11.6.2.5. DEFPIX DEFPIX recognizes regions in the initial background table (file BKGINIT.cbf) that are obscured by intruding hardware and marks the shaded pixels as untrusted. In addition, pixels that are outside a user-defined resolution range (INCLUDE_RESOLUTION_RANGE=) are marked and eliminated from the trusted region. The marked background ...
IDXREF
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.4, pp. 305-306 [ doi:10.1107/97809553602060000835 ]
... XPLAN INTEGRATE CORRECT). IDXREF uses the methods described in Kabsch (1993; Chapter 11.3 ) to determine a crystal lattice that explains ... JOB=DEFPIX XPLAN INTEGRATE CORRECT and call XDS again. References Kabsch, W. (2010). XDS. Acta Cryst. D66, 125-132. International ...
COLSPOT
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.3, p. 305 [ doi:10.1107/97809553602060000835 ]
COLSPOT 11.6.2.3. COLSPOT COLSPOT locates strong diffraction spots occurring in a subset of the data images and saves their centroids in the file SPOT.XDS. The data subset is defined by contiguous image number ranges, where each range is specified by the keyword SPOT_RANGE=. As described in Chapter 11.3 , spots ...
INIT
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.2, pp. 304-305 [ doi:10.1107/97809553602060000835 ]
INIT 11.6.2.2. INIT INIT determines three lookup tables, saved as the files BLANK.cbf, GAIN.cbf and BKGINIT.cbf, that are required by the subsequent processing steps for classifying pixels in the data images as background or belonging to a diffraction spot (`strong' pixels). These tables should be inspected with the XDS-Viewer ...
XYCORR
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.1, p. 304 [ doi:10.1107/97809553602060000835 ]
XYCORR 11.6.2.1. XYCORR This program step calculates a lookup table of additive spatial corrections at each detector pixel which is stored in the files X-CORRECTIONS.cbf, Y-CORRECTIONS.cbf. Often, the data images have already been corrected for geometrical distortions, in which case XYCORR produces tables of zeros. For spiral read-out ...
CORRECT
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.8, pp. 307-308 [ doi:10.1107/97809553602060000835 ]
CORRECT 11.6.2.8. CORRECT CORRECT applies correction factors to the intensities and standard deviations of all reflections found in the file INTEGRATE.HKL, determines the space group if unknown and refines the unit-cell parameters, reports the quality and completeness of the data set and saves the final integrated intensities in the file ...
International Tables for Crystallography (2012). Vol. F, Section 11.6.2, pp. 304-308 [ doi:10.1107/97809553602060000835 ]
... XPLAN INTEGRATE CORRECT). IDXREF uses the methods described in Kabsch (1993; Chapter 11.3 ) to determine a crystal lattice that explains ... analysis in macromolecular crystallography. Nat. Struct. Biol. 4, 269-274. Kabsch, W. (2010). XDS. Acta Cryst. D66, 125-132. Weiss, ...
INTEGRATE
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.7, p. 307 [ doi:10.1107/97809553602060000835 ]
INTEGRATE 11.6.2.7. INTEGRATE INTEGRATE determines the intensity of each reflection predicted to occur in the rotation data images (DATA_RANGE=) and saves the results in the file INTEGRATE.HKL. The diffraction parameters needed to predict the reflection positions are initially provided by the file XPARM.XDS. These parameters are either kept constant or ...
XPLAN
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.6, pp. 306-307 [ doi:10.1107/97809553602060000835 ]
XPLAN 11.6.2.6. XPLAN XPLAN supports the planning of data collection. It is based upon information provided by the input files XPARM.XDS and BKGPIX.cbf, both of which become available on processing a few test images with XDS. XPLAN estimates the completeness of new reflection data expected to be collected for each given ...
DEFPIX
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.5, p. 306 [ doi:10.1107/97809553602060000835 ]
DEFPIX 11.6.2.5. DEFPIX DEFPIX recognizes regions in the initial background table (file BKGINIT.cbf) that are obscured by intruding hardware and marks the shaded pixels as untrusted. In addition, pixels that are outside a user-defined resolution range (INCLUDE_RESOLUTION_RANGE=) are marked and eliminated from the trusted region. The marked background ...
IDXREF
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.4, pp. 305-306 [ doi:10.1107/97809553602060000835 ]
... XPLAN INTEGRATE CORRECT). IDXREF uses the methods described in Kabsch (1993; Chapter 11.3 ) to determine a crystal lattice that explains ... JOB=DEFPIX XPLAN INTEGRATE CORRECT and call XDS again. References Kabsch, W. (2010). XDS. Acta Cryst. D66, 125-132. International ...
COLSPOT
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.3, p. 305 [ doi:10.1107/97809553602060000835 ]
COLSPOT 11.6.2.3. COLSPOT COLSPOT locates strong diffraction spots occurring in a subset of the data images and saves their centroids in the file SPOT.XDS. The data subset is defined by contiguous image number ranges, where each range is specified by the keyword SPOT_RANGE=. As described in Chapter 11.3 , spots ...
INIT
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.2, pp. 304-305 [ doi:10.1107/97809553602060000835 ]
INIT 11.6.2.2. INIT INIT determines three lookup tables, saved as the files BLANK.cbf, GAIN.cbf and BKGINIT.cbf, that are required by the subsequent processing steps for classifying pixels in the data images as background or belonging to a diffraction spot (`strong' pixels). These tables should be inspected with the XDS-Viewer ...
XYCORR
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.1, p. 304 [ doi:10.1107/97809553602060000835 ]
XYCORR 11.6.2.1. XYCORR This program step calculates a lookup table of additive spatial corrections at each detector pixel which is stored in the files X-CORRECTIONS.cbf, Y-CORRECTIONS.cbf. Often, the data images have already been corrected for geometrical distortions, in which case XYCORR produces tables of zeros. For spiral read-out ...
CORRECT
International Tables for Crystallography (2012). Vol. F, Section 11.6.2.8, pp. 307-308 [ doi:10.1107/97809553602060000835 ]
CORRECT 11.6.2.8. CORRECT CORRECT applies correction factors to the intensities and standard deviations of all reflections found in the file INTEGRATE.HKL, determines the space group if unknown and refines the unit-cell parameters, reports the quality and completeness of the data set and saves the final integrated intensities in the file ...
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