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.



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.

What data do we have?

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

Looking at images