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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.1456-g5015d9cba
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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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DIALS 3.dev.1456-g5015d9cba
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integration {
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mp {
@@ -128,8 +128,8 @@ Modelling reflection profiles
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Split 13 reflections overlapping job boundaries
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Memory situation report:
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Available system memory : 127273.5 MB
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Maximum memory for processing : 101818.8 MB
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Available system memory : 127363.5 MB
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Maximum memory for processing : 101890.8 MB
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Current memory usage : 517.4 MB
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Memory required for shoeboxes : 2.7 MB
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Memory required per process : 520.1 MB
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Timing information for reference profile formation
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+-------------------+---------------+
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| Read time | 60.66 seconds |
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| Extract time | 0.43 seconds |
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| Pre-process time | 0.13 seconds |
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| Process time | 29.37 seconds |
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| Read time | 60.32 seconds |
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| Extract time | 0.32 seconds |
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| Pre-process time | 0.12 seconds |
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| Process time | 29.11 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 90.77 seconds |
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| Total time | 90.22 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 : 127273.5 MB
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Maximum memory for processing : 101818.8 MB
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Current memory usage : 526.6 MB
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Available system memory : 127363.5 MB
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Maximum memory for processing : 101890.8 MB
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Current memory usage : 529.6 MB
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Memory required for shoeboxes : 14.5 MB
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Memory required per process : 541.1 MB
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Memory required per process : 544.1 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 | 54.11 seconds |
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| Extract time | 2.16 seconds |
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| Read time | 54.39 seconds |
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| Extract time | 2.47 seconds |
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| Pre-process time | 0.48 seconds |
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| Process time | 147.82 seconds |
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| Process time | 146.30 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 205.77 seconds |
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| Total time | 204.44 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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input {

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.scale.log

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experiments = symmetrized.expt
@@ -67,7 +67,7 @@ Completed preprocessing and initialisation for this dataset.
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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 3.24
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Time taken for refinement 3.27
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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 3.41
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Time taken for refinement 3.43
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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 1.08
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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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uncertainty in the scaling model
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Total time taken: 18.8897s
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Total time taken: 18.5824s
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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 0.61
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Time taken for refinement 0.62
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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 2.20
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Time taken for refinement 2.60
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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 1.04
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Time taken for refinement 1.16
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The reflection table variances have been adjusted to account for the
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Total time taken: 13.0694s
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Total time taken: 13.8320s
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================================================================================
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tutorial_data/master/betalactamase/dials.symmetry.log

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The following parameters have been modified:
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input {

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