xds

Getting started

To maintain a tidy organization of files being generated in the course of data processing, the following procedure is recommended.

Make a new processing directory to contain the input and output files resulting from processing your images (use a directory name that is related to your lab notes describing the crystals).
Move to the processing directory and download the appropriate input template file, say nXDS-PILATUS.INP if you collected your images on a PILATUS detector, and save as nXDS.INP.
Edit nXDS.INP to describe your actual data collection experiment. Consult the documentation for details of the meaning of the input parameters in nXDS.INP. For specification of the snapshot images you want to process, select one of the two methods described in paragraph images.
Type nxds or nxds_par to invoke the program. nXDS will read the file nXDS.INP you have just edited and starts processing your data. If processing was successful, the main results, namely the integrated reflection intensities, are saved in the file nXDS_ASCII.HKL.

file name	detector
nXDS-PILATUS.INP	PILATUS 6M pixel detector (DECTRIS AG, Baden, Switzerland)
nXDS-PILATUS_12M.INP	PILATUS 12M pixel detector, cyclindrical arrangement of 120 segments (DECTRIS AG, Baden, Switzerland)
nXDS-PILATUS_200K.INP	PILATUS 200/300K pixel detector (DECTRIS AG, Baden, Switzerland)
nXDS-Eiger.INP	EIGER pixel detector (DECTRIS AG, Baden, Switzerland)
nXDS-ADSC.INP	ADSC detectors Quantum Q4, Q4r, Q105, Q210, Q210r, Q315r & Q315
nXDS-PNCCD.INP	2-segment PNCCD detector at Stanford
nXDS-NOIR.INP	Ed Westbrook's NOIR-1 lens focused CCD detector at ALS 4.2.2
nXDS-MAR555.INP	Selenium based flat panel detector
nXDS-MAR345.INP	MAR345 detector
nXDS-MAR.INP	old MAR-detector
nXDS-MARCCD.INP	MAR CCD-detector and (1k X 1k)-CCD used at CHESS
nXDS-RAXIS2.INP	R-AXIS II IMAGING PLATE DETECTOR
nXDS-RAXIS4.INP	R-AXIS IV IMAGING PLATE DETECTOR
nXDS-RAXIS4++.INP	R-AXIS IV++ IMAGING PLATE DETECTOR
nXDS-RAXIS5.INP	R-AXIS V IMAGING PLATE DETECTOR
nXDS-SATURN.INP	Rigaku/MSC CCD detector
nXDS-CRYSALIS.INP	Oxford Diffraction CCD detector
nXDS-CCDBRANDEIS.INP	(2080 X 2072)-CCD Detector used at BNL X12c; (1k X 1k)-CCD Detector (Walter Phillips) used at BNL
nXDS-BRANDEIS_B4.INP	(2k X 2k)-CCD Detector used at Brookhaven beamline B4
nXDS-SMARTCCD.INP	BRUKER SMART6000 CCD detector
nXDS-STOE.INP	STOE IMAGING PLATE DETECTOR
nXDS-SIEMENS.INP	X100A SIEMENS Multiwire detector

file name	explanation
nXSCALE.INP	template (example) input file for running nxscale
MERGE2CBF.INP	template (example) input file for running merge2cbf