Sneak Peek at New Beamline UI and Data Processing

Watch the video to see the new beamline UI in action.  On October 2, a 360 degree dataset of cryoprotected insulin crystal was collected using the new beamline UI.  This UI is based on the API that NE-CAT Staff has been working on all summer.  In addition, the new REDHORN written by Graeme Winter has been integrated into the UI.  This data collection showcases the ‘slow’ speed for REDHORN.

A faster data processing program based on DIALS is also in the works at NE-CAT.  It is capable of processing 3600 images in under 30 seconds on a MacBook.  Check out the processing log.

mxi_import: ../ins2_5ms_10.nxs
wavelength 1.035186 A
panel /entry/instrument/detector/module: 4148 x 4362 pixels of 0.0750 x 0.0750 mm, Si 0.450 mm thick, mu 4.6563/mm
distance 200.000 mm; the beam meets it at pixel 2095.80, 2250.20; trusted to 46893
goniometer: omega (scan)
scan: images 1 to 3600, from 360.0000 deg, 0.1000 deg each
Wrote imported.expt
Images: /Volumes/External/data/24ID-C/20261002/ins2_5ms_10.nxs, from imported.expt
Experiments: 1 experiment, images 1 to 3600, /Volumes/External/data/24ID-C/20261002/ins2_5ms_10.nxs (3600 frames), 1 panel of 4148 x 4362 pixels (fast x slow), identifier a517d5bb-7744-4aff-85fc-494b3eed32a8
Series ins2_5ms_10: 3600 images of 4148 x 4362 pixels (fast x slow), from /Volumes/External/data/24ID-C/20261002/ins2_5ms_10.nxs, 16 threads, on the GPU
Grouping in three dimensions, 3 to 1000 pixels a spot, peak within 2.0 of the centroid
Metal: stage0 tile window, stage2 tile window
Thresholded 3600 of 3600 images in 16.0 s (225.4 images/s), 0 never written, 0 failures
Found 5103282 signal pixels on 3600 frames
Extracted 271702 spots
Removed 90328 spots with size < 3 pixels Removed 49 spots with size > 1000 pixels
Calculated 181325 spot centroids
Calculated 181325 spot intensities
Filtered 179649 of 181325 spots by peak-centroid distance
Histogram of spots per image:
179649 spots found on 3600 images (max 3632 / bin)
********
************* ***
******************************************* ***
************************************************************
************************************************************
************************************************************
************************************************************
************************************************************
************************************************************
************************************************************

-------------Summary of merging statistics--------------
Overall Low High
High resolution limit 1.41 3.82 1.41
Low resolution limit 55.44 55.44 1.43
Completeness 98.3 100.0 84.4
Multiplicity 35.0 33.2 15.1
I/sigma 28.4 62.3 1.2
Rmerge(I) 0.065 0.042 2.471
Rmerge(I+/-) 0.064 0.041 2.412
Rmeas(I) 0.066 0.042 2.555
Rmeas(I+/-) 0.066 0.042 2.580
Rpim(I) 0.011 0.007 0.634
Rpim(I+/-) 0.015 0.009 0.896
CC half 0.999 0.987 0.358
Anomalous completeness 98.1 100.0 83.7
Anomalous multiplicity 18.2 18.4 7.8
Anomalous correlation 0.389 -0.123 0.013
Anomalous slope 1.400
dF/F 0.027
dI/s(dI) 0.768
Total observations 540077 27918 9912
Total unique 15435 841 658
Wrote scaled.refl and scaled.expt
real 0m30.524s
user 2m9.627s
sys 0m6.692s