update generated tutorial data (master)

dials · Nov 4, 2023 · 47e4a0c · 47e4a0c
1 parent af41db0
commit 47e4a0c
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Showing 14 changed files with 94 additions and 94 deletions.
diff --git a/tutorial_data/master/betalactamase/dials.integrate.log b/tutorial_data/master/betalactamase/dials.integrate.log
@@ -132,11 +132,11 @@ Modelling reflection profiles
  Split 13 reflections overlapping job boundaries
 
 Memory situation report:
-  Available system memory (excluding swap)          :128.6 GB
-  Available swap memory                             :  7.7 GB
-  Available system memory (including swap)          :136.3 GB
-  Maximum memory for processing (including swap)    :122.7 GB
-  Maximum memory for processing (excluding swap)    :115.7 GB
+  Available system memory (excluding swap)          :128.8 GB
+  Available swap memory                             :  8.5 GB
+  Available system memory (including swap)          :137.3 GB
+  Maximum memory for processing (including swap)    :123.5 GB
+  Maximum memory for processing (excluding swap)    :115.9 GB
   no memory ulimit set
   Memory required per process                       :  0.0 GB
 
@@ -849,12 +849,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for reference profile formation
 +-------------------+---------------+
-| Read time         | 64.51 seconds |
-| Extract time      | 0.40 seconds  |
+| Read time         | 64.30 seconds |
+| Extract time      | 0.58 seconds  |
 | Pre-process time  | 0.08 seconds  |
-| Process time      | 26.74 seconds |
+| Process time      | 26.28 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 92.07 seconds |
+| Total time        | 91.39 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -864,11 +864,11 @@ Integrating reflections
  Split 109 reflections overlapping job boundaries
 
 Memory situation report:
-  Available system memory (excluding swap)          :128.6 GB
-  Available swap memory                             :  7.7 GB
-  Available system memory (including swap)          :136.3 GB
-  Maximum memory for processing (including swap)    :122.7 GB
-  Maximum memory for processing (excluding swap)    :115.7 GB
+  Available system memory (excluding swap)          :128.8 GB
+  Available swap memory                             :  8.5 GB
+  Available system memory (including swap)          :137.3 GB
+  Maximum memory for processing (including swap)    :123.5 GB
+  Maximum memory for processing (excluding swap)    :115.9 GB
   no memory ulimit set
   Memory required per process                       :  0.0 GB
 
@@ -1709,12 +1709,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 65.56 seconds  |
-| Extract time      | 2.71 seconds   |
-| Pre-process time  | 0.39 seconds   |
-| Process time      | 139.62 seconds |
+| Read time         | 64.56 seconds  |
+| Extract time      | 2.57 seconds   |
+| Pre-process time  | 0.35 seconds   |
+| Process time      | 138.80 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 209.46 seconds |
+| Total time        | 207.49 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
@@ -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 0.99
+Time taken for refinement 1.21
 
 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 3.74
+Time taken for refinement 3.79
 
 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: 19.0162s 
+Total time taken: 19.2279s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/betalactamase/dials.scale_cut.log b/tutorial_data/master/betalactamase/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 0.98
+Time taken for refinement 0.97
 
 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 2.43
+Time taken for refinement 2.42
 
 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 1.18
+Time taken for refinement 1.17
 
 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: 13.5817s 
+Total time taken: 13.4853s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/last_update b/tutorial_data/master/last_update
@@ -1 +1 @@
-2023-W43
+2023-W44
diff --git a/tutorial_data/master/mpro_x0692/dials.integrate.log b/tutorial_data/master/mpro_x0692/dials.integrate.log
@@ -122,11 +122,11 @@ Modelling reflection profiles
  Split 27 reflections overlapping job boundaries
 
 Memory situation report:
-  Available system memory (excluding swap)          :128.9 GB
-  Available swap memory                             :  7.7 GB
-  Available system memory (including swap)          :136.6 GB
-  Maximum memory for processing (including swap)    :122.9 GB
-  Maximum memory for processing (excluding swap)    :116.0 GB
+  Available system memory (excluding swap)          :129.1 GB
+  Available swap memory                             :  8.5 GB
+  Available system memory (including swap)          :137.6 GB
+  Maximum memory for processing (including swap)    :123.8 GB
+  Maximum memory for processing (excluding swap)    :116.2 GB
   no memory ulimit set
   Memory required per process                       :  0.0 GB
 
@@ -551,12 +551,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for reference profile formation
 +-------------------+---------------+
-| Read time         | 21.93 seconds |
-| Extract time      | 0.40 seconds  |
+| Read time         | 20.16 seconds |
+| Extract time      | 0.38 seconds  |
 | Pre-process time  | 0.02 seconds  |
-| Process time      | 8.54 seconds  |
+| Process time      | 8.39 seconds  |
 | Post-process time | 0.00 seconds  |
-| Total time        | 30.93 seconds |
+| Total time        | 29.09 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -566,11 +566,11 @@ Integrating reflections
  Split 681 reflections overlapping job boundaries
 
 Memory situation report:
-  Available system memory (excluding swap)          :128.8 GB
-  Available swap memory                             :  7.7 GB
-  Available system memory (including swap)          :136.6 GB
-  Maximum memory for processing (including swap)    :122.9 GB
-  Maximum memory for processing (excluding swap)    :116.0 GB
+  Available system memory (excluding swap)          :129.1 GB
+  Available swap memory                             :  8.5 GB
+  Available system memory (including swap)          :137.5 GB
+  Maximum memory for processing (including swap)    :123.8 GB
+  Maximum memory for processing (excluding swap)    :116.2 GB
   no memory ulimit set
   Memory required per process                       :  0.3 GB
 
@@ -1091,12 +1091,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 24.19 seconds  |
-| Extract time      | 6.86 seconds   |
+| Read time         | 24.34 seconds  |
+| Extract time      | 6.54 seconds   |
 | Pre-process time  | 0.20 seconds   |
-| Process time      | 129.67 seconds |
+| Process time      | 130.09 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 161.95 seconds |
+| Total time        | 162.44 seconds |
 +-------------------+----------------+
 
 Removing 22837 unintegrated reflections of 199394 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 5.89
+Time taken for refinement 5.87
 
 Refinement steps:
 +--------+--------+----------+
@@ -139,7 +139,7 @@ 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 2.44
+Time taken for refinement 2.43
 
 Refinement steps:
 +--------+--------+----------+
@@ -199,7 +199,7 @@ 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 4.45
+Time taken for refinement 4.48
 
 Refinement steps:
 +--------+--------+----------+
@@ -223,7 +223,7 @@ 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 0.93
+Time taken for refinement 0.96
 
 Refinement steps:
 +--------+--------+----------+
@@ -273,7 +273,7 @@ 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: 19.3069s 
+Total time taken: 19.3101s 
 
 ================================================================================
 

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 0.67
+Time taken for refinement 0.66
 
 Refinement steps:
 +--------+--------+----------+
@@ -108,7 +108,7 @@ 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 0.68
+Time taken for refinement 0.66
 
 Refinement steps:
 +--------+--------+----------+
@@ -158,7 +158,7 @@ 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 3.07
+Time taken for refinement 3.03
 
 Refinement steps:
 +--------+--------+----------+
@@ -179,7 +179,7 @@ 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 0.98
+Time taken for refinement 0.94
 
 Refinement steps:
 +--------+--------+----------+
@@ -229,7 +229,7 @@ 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: 9.3055s 
+Total time taken: 9.0388s 
 
 ================================================================================
 

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.1044-g103ed65a1, run on 2023-10-28 at 08:20:51 BST  (2023-10-28
+  From DIALS 3.dev.1044-g103ed65a1, run on 2023-11-04 at 08:19:44 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 31.02
+Time taken for refinement 26.68
 
 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 2.76
+Time taken for refinement 2.47
 
 Refinement steps:
 +--------+--------+----------+
@@ -462,7 +462,7 @@ 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 19.50
+Time taken for refinement 15.72
 
 Refinement steps:
 +--------+--------+----------+
@@ -485,7 +485,7 @@ 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 4.94
+Time taken for refinement 3.84
 
 Refinement steps:
 +--------+--------+----------+
@@ -539,7 +539,7 @@ 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: 66.3793s 
+Total time taken: 55.2976s 
 
 ================================================================================
 

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 2.12
+Time taken for refinement 1.72
 
 Refinement steps:
 +--------+--------+----------+
@@ -267,7 +267,7 @@ 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 1.42
+Time taken for refinement 1.15
 
 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 14.45
+Time taken for refinement 11.80
 
 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 4.63
+Time taken for refinement 3.83
 
 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: 30.0638s 
+Total time taken: 24.7397s 
 
 ================================================================================