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update generated tutorial data (master)
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tutorial_data/master/betalactamase/dials.find_spots.log

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DIALS 3.dev.1428-gd99e5841f-release
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The following parameters have been modified:
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spotfinder {

tutorial_data/master/betalactamase/dials.import.log

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input {

tutorial_data/master/betalactamase/dials.index.log

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input {

tutorial_data/master/betalactamase/dials.integrate.log

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The following parameters have been modified:
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integration {
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mp {
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Split 13 reflections overlapping job boundaries
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Memory situation report:
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Available system memory : 127638.8 MB
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Maximum memory for processing : 102111.0 MB
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Current memory usage : 522.7 MB
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Available system memory : 127622.4 MB
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Maximum memory for processing : 102097.9 MB
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Current memory usage : 516.1 MB
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Memory required for shoeboxes : 2.7 MB
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Memory required per process : 525.4 MB
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Memory required per process : 518.7 MB
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Processing reflections in the following blocks of images:
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Timing information for reference profile formation
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+-------------------+---------------+
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| Read time | 63.69 seconds |
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| Extract time | 0.54 seconds |
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| Read time | 61.25 seconds |
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| Extract time | 0.66 seconds |
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| Pre-process time | 0.12 seconds |
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| Process time | 29.06 seconds |
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| Process time | 29.01 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 93.60 seconds |
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| Total time | 91.30 seconds |
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+-------------------+---------------+
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================================================================================
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Split 112 reflections overlapping job boundaries
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Memory situation report:
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Available system memory : 127638.8 MB
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Maximum memory for processing : 102111.0 MB
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Current memory usage : 537.9 MB
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Available system memory : 127622.4 MB
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Maximum memory for processing : 102097.9 MB
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Current memory usage : 528.3 MB
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Memory required for shoeboxes : 14.5 MB
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Memory required per process : 552.3 MB
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Memory required per process : 542.7 MB
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Processing reflections in the following blocks of images:
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Timing information for integration
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+-------------------+----------------+
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| Read time | 61.37 seconds |
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| Extract time | 2.78 seconds |
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| Pre-process time | 0.47 seconds |
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| Process time | 148.23 seconds |
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| Read time | 55.20 seconds |
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| Extract time | 2.45 seconds |
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| Pre-process time | 0.48 seconds |
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| Process time | 147.40 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 213.81 seconds |
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| Total time | 206.32 seconds |
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+-------------------+----------------+
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Removing 41640 unintegrated reflections of 368697 total

tutorial_data/master/betalactamase/dials.refine.log

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input {

tutorial_data/master/betalactamase/dials.refine_bravais_settings.log

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tutorial_data/master/betalactamase/dials.reindex.log

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change_of_basis_op = "a+b,-a+b,c"

tutorial_data/master/betalactamase/dials.report.log

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Analysing distribution of partialities
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Analysing QE map
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Analysing reference profiles
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Selected 312128 integrated reflections....................................0.04s
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Selected 312128 integrated reflections....................................0.03s
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Analysing reference profile distribution vs x/y
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Analysing reference profile distribution vs z
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Analysing reflection correlations vs resolution

tutorial_data/master/betalactamase/dials.scale.log

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experiments = symmetrized.expt
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 3.22
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Time taken for refinement 3.23
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+--------+--------+----------+
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 3.40
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Time taken for refinement 3.38
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Refinement steps:
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+--------+--------+----------+
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 1.07
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Time taken for refinement 1.06
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Refinement steps:
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+--------+--------+----------+
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The reflection table variances have been adjusted to account for the
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Total time taken: 18.1123s
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Total time taken: 18.2316s
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================================================================================
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tutorial_data/master/betalactamase/dials.scale_cut.log

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The following parameters have been modified:
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cut_data {
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d_min = 1.4
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 0.91
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 0.61
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Time taken for refinement 0.62
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Refinement steps:
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The reflection table variances have been adjusted to account for the
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Total time taken: 12.9686s
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Total time taken: 13.0098s
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================================================================================
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