update generated tutorial data (master)

dials · Dec 2, 2023 · 9f264b8 · 9f264b8
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commit 9f264b8
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Showing 13 changed files with 81 additions and 81 deletions.
diff --git a/tutorial_data/master/betalactamase/dials.integrate.log b/tutorial_data/master/betalactamase/dials.integrate.log
@@ -134,9 +134,9 @@ Modelling reflection profiles
 
 Memory situation report:
   Available system memory (excluding swap)          :128.6 GB
-  Available swap memory                             :  8.1 GB
-  Available system memory (including swap)          :136.7 GB
-  Maximum memory for processing (including swap)    :123.0 GB
+  Available swap memory                             :  8.0 GB
+  Available system memory (including swap)          :136.5 GB
+  Maximum memory for processing (including swap)    :122.9 GB
   Maximum memory for processing (excluding swap)    :115.7 GB
   no memory ulimit set
   Memory required per process                       :  0.0 GB
@@ -850,12 +850,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for reference profile formation
 +-------------------+---------------+
-| Read time         | 62.93 seconds |
-| Extract time      | 0.54 seconds  |
+| Read time         | 63.08 seconds |
+| Extract time      | 0.47 seconds  |
 | Pre-process time  | 0.12 seconds  |
-| Process time      | 29.27 seconds |
+| Process time      | 29.52 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 93.10 seconds |
+| Total time        | 93.42 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -865,10 +865,10 @@ Integrating reflections
  Split 109 reflections overlapping job boundaries
 
 Memory situation report:
-  Available system memory (excluding swap)          :128.5 GB
-  Available swap memory                             :  8.1 GB
-  Available system memory (including swap)          :136.6 GB
-  Maximum memory for processing (including swap)    :123.0 GB
+  Available system memory (excluding swap)          :128.6 GB
+  Available swap memory                             :  8.0 GB
+  Available system memory (including swap)          :136.5 GB
+  Maximum memory for processing (including swap)    :122.9 GB
   Maximum memory for processing (excluding swap)    :115.7 GB
   no memory ulimit set
   Memory required per process                       :  0.0 GB
@@ -1710,12 +1710,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 64.51 seconds  |
-| Extract time      | 2.52 seconds   |
-| Pre-process time  | 0.47 seconds   |
-| Process time      | 149.53 seconds |
+| Read time         | 64.85 seconds  |
+| Extract time      | 2.89 seconds   |
+| Pre-process time  | 0.49 seconds   |
+| Process time      | 149.00 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 218.28 seconds |
+| Total time        | 218.17 seconds |
 +-------------------+----------------+
 
 Removing 41622 unintegrated reflections of 368699 total

diff --git a/tutorial_data/master/betalactamase/dials.scale.log b/tutorial_data/master/betalactamase/dials.scale.log
@@ -67,7 +67,7 @@ Completed preprocessing and initialisation for this dataset.
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 3.65
+Time taken for refinement 3.61
 
 Refinement steps:
 +--------+--------+----------+
@@ -125,7 +125,7 @@ A round of outlier rejection has been performed,
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 1.08
+Time taken for refinement 1.03
 
 Refinement steps:
 +--------+--------+----------+
@@ -177,7 +177,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 3.77
+Time taken for refinement 3.62
 
 Refinement steps:
 +--------+--------+----------+
@@ -198,7 +198,7 @@ RMSD no longer decreasing
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 1.19
+Time taken for refinement 1.14
 
 Refinement steps:
 +--------+--------+----------+
@@ -248,7 +248,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 The reflection table variances have been adjusted to account for the
 uncertainty in the scaling model
 
-Total time taken: 19.6713s 
+Total time taken: 18.9527s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/betalactamase/dials.scale_cut.log b/tutorial_data/master/betalactamase/dials.scale_cut.log
@@ -161,7 +161,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 2.39
+Time taken for refinement 2.38
 
 Refinement steps:
 +--------+--------+----------+
@@ -180,7 +180,7 @@ RMSD no longer decreasing
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 1.13
+Time taken for refinement 1.12
 
 Refinement steps:
 +--------+--------+----------+
@@ -230,7 +230,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 The reflection table variances have been adjusted to account for the
 uncertainty in the scaling model
 
-Total time taken: 14.0014s 
+Total time taken: 13.4815s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/last_update b/tutorial_data/master/last_update
@@ -1 +1 @@
-2023-W47
+2023-W48
diff --git a/tutorial_data/master/mpro_x0692/dials.integrate.log b/tutorial_data/master/mpro_x0692/dials.integrate.log
@@ -124,10 +124,10 @@ Modelling reflection profiles
 
 Memory situation report:
   Available system memory (excluding swap)          :128.8 GB
-  Available swap memory                             :  8.1 GB
-  Available system memory (including swap)          :136.9 GB
-  Maximum memory for processing (including swap)    :123.2 GB
-  Maximum memory for processing (excluding swap)    :115.9 GB
+  Available swap memory                             :  8.0 GB
+  Available system memory (including swap)          :136.8 GB
+  Maximum memory for processing (including swap)    :123.1 GB
+  Maximum memory for processing (excluding swap)    :116.0 GB
   no memory ulimit set
   Memory required per process                       :  0.0 GB
 
@@ -552,12 +552,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for reference profile formation
 +-------------------+---------------+
-| Read time         | 19.46 seconds |
-| Extract time      | 0.48 seconds  |
+| Read time         | 18.80 seconds |
+| Extract time      | 0.43 seconds  |
 | Pre-process time  | 0.02 seconds  |
-| Process time      | 9.48 seconds  |
+| Process time      | 9.39 seconds  |
 | Post-process time | 0.00 seconds  |
-| Total time        | 29.55 seconds |
+| Total time        | 28.71 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -568,9 +568,9 @@ Integrating reflections
 
 Memory situation report:
   Available system memory (excluding swap)          :128.8 GB
-  Available swap memory                             :  8.1 GB
-  Available system memory (including swap)          :136.9 GB
-  Maximum memory for processing (including swap)    :123.2 GB
+  Available swap memory                             :  8.0 GB
+  Available system memory (including swap)          :136.8 GB
+  Maximum memory for processing (including swap)    :123.1 GB
   Maximum memory for processing (excluding swap)    :115.9 GB
   no memory ulimit set
   Memory required per process                       :  0.3 GB
@@ -1092,12 +1092,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 25.92 seconds  |
-| Extract time      | 7.43 seconds   |
-| Pre-process time  | 0.29 seconds   |
-| Process time      | 142.54 seconds |
+| Read time         | 23.54 seconds  |
+| Extract time      | 6.50 seconds   |
+| Pre-process time  | 0.28 seconds   |
+| Process time      | 141.78 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 177.18 seconds |
+| Total time        | 173.22 seconds |
 +-------------------+----------------+
 
 Removing 22837 unintegrated reflections of 199395 total

diff --git a/tutorial_data/master/mpro_x0692/dials.scale.log b/tutorial_data/master/mpro_x0692/dials.scale.log
@@ -67,7 +67,7 @@ Completed preprocessing and initialisation for this dataset.
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 7.23
+Time taken for refinement 7.16
 
 Refinement steps:
 +--------+--------+----------+
@@ -146,7 +146,7 @@ A round of outlier rejection has been performed,
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 3.17
+Time taken for refinement 3.14
 
 Refinement steps:
 +--------+--------+----------+
@@ -209,7 +209,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 4.44
+Time taken for refinement 4.42
 
 Refinement steps:
 +--------+--------+----------+
@@ -233,7 +233,7 @@ RMSD no longer decreasing
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 0.92
+Time taken for refinement 0.91
 
 Refinement steps:
 +--------+--------+----------+
@@ -283,7 +283,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 The reflection table variances have been adjusted to account for the
 uncertainty in the scaling model
 
-Total time taken: 21.4173s 
+Total time taken: 21.2997s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/mpro_x0692/dials.scale_cut.log b/tutorial_data/master/mpro_x0692/dials.scale_cut.log
@@ -68,7 +68,7 @@ Completed preprocessing and initialisation for this dataset.
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 1.20
+Time taken for refinement 1.19
 
 Refinement steps:
 +--------+--------+----------+
@@ -161,7 +161,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 2.52
+Time taken for refinement 2.50
 
 Refinement steps:
 +--------+--------+----------+
@@ -181,7 +181,7 @@ RMSD no longer decreasing
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 0.96
+Time taken for refinement 0.94
 
 Refinement steps:
 +--------+--------+----------+
@@ -231,7 +231,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 The reflection table variances have been adjusted to account for the
 uncertainty in the scaling model
 
-Total time taken: 9.2594s 
+Total time taken: 9.0998s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/multi_crystal/dials.merge.log b/tutorial_data/master/multi_crystal/dials.merge.log
@@ -295,7 +295,7 @@ Number of crystals: 2
 Number of Miller indices: 20799
 Resolution range: 68.3603 1.78117
 History:
-  From DIALS 3.dev.1068-g8f16d0a9a, run on 2023-11-25 at 08:20:54 GMT
+  From DIALS 3.dev.1068-g8f16d0a9a, run on 2023-12-02 at 08:20:26 GMT
 Crystal 1:
   Name: HKL_base
   Project: HKL_base

diff --git a/tutorial_data/master/multi_crystal/dials.scale.log b/tutorial_data/master/multi_crystal/dials.scale.log
@@ -227,7 +227,7 @@ Completed configuration of MultiScaler.
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 27.86
+Time taken for refinement 27.80
 
 Refinement steps:
 +--------+--------+----------+
@@ -402,7 +402,7 @@ Combined outlier rejection has been performed across multiple datasets,
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 2.97
+Time taken for refinement 2.95
 
 Refinement steps:
 +--------+--------+----------+
@@ -464,7 +464,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 14.52
+Time taken for refinement 14.49
 
 Refinement steps:
 +--------+--------+----------+
@@ -487,7 +487,7 @@ RMSD no longer decreasing
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 3.54
+Time taken for refinement 3.53
 
 Refinement steps:
 +--------+--------+----------+
@@ -541,7 +541,7 @@ The reflection table variances have been adjusted to account for the
 uncertainty in the scaling models for all datasets
 Using median unit cell across experiments : (68.3603, 68.3603, 103.953, 90, 90, 90)
 
-Total time taken: 55.5383s 
+Total time taken: 55.3844s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/multi_crystal/dials.scale_cut.log b/tutorial_data/master/multi_crystal/dials.scale_cut.log
@@ -222,7 +222,7 @@ Completed configuration of MultiScaler.
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 1.60
+Time taken for refinement 1.65
 
 Refinement steps:
 +--------+--------+----------+
@@ -266,7 +266,7 @@ Combined outlier rejection has been performed across multiple datasets,
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with an LBFGS minimizer. 
 
-Time taken for refinement 1.39
+Time taken for refinement 1.42
 
 Refinement steps:
 +--------+--------+----------+
@@ -320,7 +320,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 10.90
+Time taken for refinement 11.26
 
 Refinement steps:
 +--------+--------+----------+
@@ -341,7 +341,7 @@ RMSD no longer decreasing
 Components to be refined in this cycle for all datasets: scale, decay, absorption
 Performing a round of scaling with a Levenberg-Marquardt minimizer.
 
-Time taken for refinement 3.54
+Time taken for refinement 3.67
 
 Refinement steps:
 +--------+--------+----------+
@@ -395,7 +395,7 @@ The reflection table variances have been adjusted to account for the
 uncertainty in the scaling models for all datasets
 Using median unit cell across experiments : (68.3603, 68.3603, 103.953, 90, 90, 90)
 
-Total time taken: 23.6585s 
+Total time taken: 24.4361s 
 
 ================================================================================