Hi I think the phi rotation on that beamline is the opposite way round to most other Q315s - so in Mosflm you'd need to have a "DETECTOR REVERSEPHI" line (or click the "reverse direction of spindle rotation" box in iMosflm). I don't know what you'd do in XDS, but I don't think there is anything in the header (apart from the detector serial number) that would give a clue about it. You just need to know about the individual detector.
There's no reason why images from a Q315r should be less easy to process than those from a Q315 in XDS or Mosflm. I'd stick with Mosflm, personally, but you'd expect me to say that. On 8 Dec 2010, at 14:53, wu donghui wrote: > Dear all, > > Thank you very much for your valuable inputs. This is an update based from > the suggestions. > > Following Pierre's suggestion, I installed xdsme > (http://code.google.com/p/xdsme/) and run it. xdsme extracts image header as > the below: > > Image format: adsc > Detector type: ADSC 315 > Detector distance: 480.00 mm > X-ray wavelength: 1.1397 A > Oscillation range: 0.5000 degree > Beam coordinate X: 1535.3 pixel > Y: 1535.3 pixel > > As the detector type should be ADSC 315r, the indexing shows warning > information that !!! WARNING in IDXREF. Solution is inaccurate. > > Based on Miles's suggestion, I run the program adxv ( > http://www.scripps.edu/~arvai/adxv.html) to extract image header as the below: > > Distance 480.000 mm > Pixel Size 0.10259 mm > Wavelength 1.13967 A > Beam Center X: 1535 pixels > Y: 1536 pixels > OSC_RANGE 0.5000 degree > > However the beam center pixel seems to indicate that ccd detector is Q315 but > not Q315r based on the provided template script from XDS website as below. > > ***************************************************************************** > ! Example file XDS.INP for the ADSC Q105 CCD-detector > ! Characters in a line to the right of an exclamation mark are comment. > !***************************************************************************** > !NOTE: XDS can handle only "SMV" images of TYPE=unsigned_short. > ! Images are expected to be already corrected for spatial distortions. > ! > !Standard settings for the ADSC Q105 that rarely need to be changed > > DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 > DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 > DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 > TRUSTED_REGION=0.0 1.05 !Relative radii limiting trusted detector region > !UNTRUSTED_RECTANGLE= 570 1920 1469 2048 ! rectangle: X1 X2 Y1 Y2 > !UNTRUSTED_ELLIPSE= 910 1110 1010 1210 ! ellipse enclosed by X1 X2 Y1 Y2 > !File name, access, format of dark-current (non-Xray background) image > !DARK_CURRENT_IMAGE=../images/blank.tif !hardly ever used > > !MAXIMUM_NUMBER_OF_JOBS=4 !Speeds-up COLSPOT & INTEGRATE on a Linux-cluster > !MAXIMUM_NUMBER_OF_PROCESSORS=4!<33;ignored by single cpu version of xds > !MINUTE=0 !Maximum number of minutes to wait until data image must appears > !TEST=1 !Test flag. 1,2 additional diagnostics and images > > !NX=number of fast pixels (along X); QX=length of a X-pixel (mm) > !NY=number of slow pixels (along Y); QY=length of a Y-pixel (mm) > !For the ADSC, the number of detector pixels and their sizes are > !obtained from the image header. It is therefore unnecessary to > !specify values for NX, NY, QX, QY. > !NX=2304 NY=2304 QX=0.0816 QY=0.0816 !ADSC Q4 > !NX=2048 NY=2048 QX=0.0500 QY=0.0500 !ADSC Q105 > !NX=2048 NY=2048 QX=0.1024 QY=0.1024 !ADSC Q210 at ESRF ID-29 > !NX=4096 NY=4096 QX=0.051 QY=0.051 !ADSC Q210r > !NX=3072 NY=3072 QX=0.10259 QY=0.10259 !ADSC Q315 at SSRL 9-2 > !NX=6144 NY=6144 QX=0.0513 QY=0.0513 !ADSC Q315r at ESRF ID-29 > > > In summary, I can not index my data collected at Q315r Taiwan 13B1 beamline > using XDS program. It seems that XDS process data from Q315 is more efficient > that from Q315r. > > Any suggestions will be much appreciated. > > Best regards, > > Donghui > > > > > > On Wed, Dec 8, 2010 at 11:03 AM, wu donghui <[email protected]> wrote: > Dear all, > > Recently I collected several data sets at 13B1 Taiwan beamline with Q315r > detector. It's no problem to index these datasets using mosflm, but Rms > residual and weighted residual is high. Here I want to try XDS to play my > data. I downloaded a template example as below. > > !***************************************************************************** > ! Example file XDS.INP for the ADSC Q105 CCD-detector > ! Characters in a line to the right of an exclamation mark are comment. > !***************************************************************************** > !NOTE: XDS can handle only "SMV" images of TYPE=unsigned_short. > ! Images are expected to be already corrected for spatial distortions. > ! > !Standard settings for the ADSC Q105 that rarely need to be changed > > DETECTOR=ADSC MINIMUM_VALID_PIXEL_VALUE=1 OVERLOAD= 65000 > DIRECTION_OF_DETECTOR_X-AXIS= 1.0 0.0 0.0 > DIRECTION_OF_DETECTOR_Y-AXIS= 0.0 1.0 0.0 > TRUSTED_REGION=0.0 1.05 !Relative radii limiting trusted detector region > !UNTRUSTED_RECTANGLE= 570 1920 1469 2048 ! rectangle: X1 X2 Y1 Y2 > !UNTRUSTED_ELLIPSE= 910 1110 1010 1210 ! ellipse enclosed by X1 X2 Y1 Y2 > !File name, access, format of dark-current (non-Xray background) image > !DARK_CURRENT_IMAGE=../images/blank.tif !hardly ever used > > !MAXIMUM_NUMBER_OF_JOBS=4 !Speeds-up COLSPOT & INTEGRATE on a Linux-cluster > !MAXIMUM_NUMBER_OF_PROCESSORS=4!<33;ignored by single cpu version of xds > !MINUTE=0 !Maximum number of minutes to wait until data image must appears > !TEST=1 !Test flag. 1,2 additional diagnostics and images > > !NX=number of fast pixels (along X); QX=length of a X-pixel (mm) > !NY=number of slow pixels (along Y); QY=length of a Y-pixel (mm) > !For the ADSC, the number of detector pixels and their sizes are > !obtained from the image header. It is therefore unnecessary to > !specify values for NX, NY, QX, QY. > !NX=2304 NY=2304 QX=0.0816 QY=0.0816 !ADSC Q4 > !NX=2048 NY=2048 QX=0.0500 QY=0.0500 !ADSC Q105 > !NX=2048 NY=2048 QX=0.1024 QY=0.1024 !ADSC Q210 at ESRF ID-29 > !NX=4096 NY=4096 QX=0.051 QY=0.051 !ADSC Q210r > !NX=3072 NY=3072 QX=0.10259 QY=0.10259 !ADSC Q315 at SSRL 9-2 > !NX=6144 NY=6144 QX=0.0513 QY=0.0513 !ADSC Q315r at ESRF ID-29 > > !AIR=0.001 !Air absorption coefficient of x-rays is computed by XDS by default > > !====================== JOB CONTROL PARAMETERS =============================== > !JOB= XYCORR INIT COLSPOT IDXREF DEFPIX XPLAN INTEGRATE CORRECT > > !====================== GEOMETRICAL PARAMETERS =============================== > !ORGX and ORGY are often close to the image center, i.e. ORGX=NX/2, ORGY=NY/2 > ORGX=3072.0 ORGY=3072 !Detector origin (pixels). ORGX=NX/2; ORGY=NY/2 > DETECTOR_DISTANCE= 480 !(mm) > > ROTATION_AXIS= 1.0 0.0 0.0 > OSCILLATION_RANGE=0.5 !degrees (>0) > > X-RAY_WAVELENGTH=1.14 !Angstroem > INCIDENT_BEAM_DIRECTION=0.0 0.0 1.0 > FRACTION_OF_POLARIZATION=0.90 !default=0.5 for unpolarized beam > POLARIZATION_PLANE_NORMAL= 0.0 1.0 0.0 > > !======================= CRYSTAL PARAMETERS ================================= > SPACE_GROUP_NUMBER=0 !0 for unknown crystals; cell constants are ignored. > UNIT_CELL_CONSTANTS= 139.53 249.90 119.83 90.000 112.511 90.000 > > ! You may specify here the x,y,z components for the unit cell vectors if > ! known from a previous run using the same crystal in the same orientation > !UNIT_CELL_A-AXIS= > !UNIT_CELL_B-AXIS= > !UNIT_CELL_C-AXIS= > > !Optional reindexing transformation to apply on reflection indices > !REIDX= 0 0 -1 0 0 -1 0 0 -1 0 0 0 > > !FRIEDEL'S_LAW=FALSE !Default is TRUE. > > > > > However indexed cell parameter for a b and c is small and error information > indicates that cell solution is not accurate. I suspect that I need to > change some input parameters besides selection of ORGX=3072.0 ORGY=3072 when > using XDS as the template is for ADSC Q105. > > Here I want to know if anyone has experience to use XDS to process data > collected at Q315r and what error I made for using this script. > > Thank you very much for any suggestion. > > Best regards, > > Donghui > Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH
