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From the session website: Merging together multiple 'wedges' of data or whole datasets may be necessary to obtain a dataset with the most desirable completeness or redundancy. This example is designed to simulate a case where only relatively small 'wedges' of data could be collected from crystals of a particular sample before the crystals decayed (rapidly) from radiation damage. In order to piece together a whole dataset, multiple swaths of data, collected from random orientations on multiple isomorphous crystals must be merged together to produce a complete dataset. Users will learn the considerations that go into merging multiple datasets. These data were generated by James Holton using his MLFSOM program, which relied on the deposited structure factors to compute the spot intensities. |
Content:
Data kindly provided by: James Holton Sample: I1 domain from the giant muscle protein titin PDB Code: 1G1C Image file format: The images were created using the MLFSOM software.
The session website shows commands for getting a minimal set of data. However, this consists of data from 100 crystals with 3 images in each dataset only.
Here we will work with the full 15 images for each of the 100 crystals. The relevant tarballs are 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15.
With those tarballs we can run
% find_images
and get 100 datasets with 15 imagesd each, ie. for the first crystal xtal001_1_001.img to xtal001_1_015.img and for the last crystal xtal100_1_001.img to xtal100_1_015.img.
Checking with
% imginfo *001.img
we can see that all image headers are identical (apart from the timestamp):
################# File = xtal001_1_001.img >>> Image format detected as ADSC ===== Header information: date = Sun Jan 23 09:00:20 PST 2011 exposure time [seconds] = 1.000 distance [mm] = 250.000 wavelength [A] = 0.979338 Phi-angle (start, end) [degree] = 0.000 1.000 Oscillation-angle in Phi [degree] = 1.000 Omega-angle [degree] = 0.000 2-Theta angle [degree] = 0.000 Pixel size in X [mm] = 0.102539 Pixel size in Y [mm] = 0.102539 Number of pixels in X = 3072 Number of pixels in Y = 3072 Beam centre in X [mm] = 154.960 Beam centre in X [pixel] = 1511.230 Beam centre in Y [mm] = 155.750 Beam centre in Y [pixel] = 1518.934