update generated tutorial data (master)

dials · Jun 22, 2024 · c0a133b · c0a133b
1 parent 2c2ac89
commit c0a133b
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Showing 14 changed files with 61 additions and 61 deletions.
diff --git a/tutorial_data/master/betalactamase/dials.integrate.log b/tutorial_data/master/betalactamase/dials.integrate.log
@@ -846,12 +846,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for reference profile formation
 +-------------------+---------------+
-| Read time         | 51.75 seconds |
-| Extract time      | 0.36 seconds  |
+| Read time         | 51.35 seconds |
+| Extract time      | 0.58 seconds  |
 | Pre-process time  | 0.11 seconds  |
-| Process time      | 25.97 seconds |
+| Process time      | 25.94 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 78.52 seconds |
+| Total time        | 78.05 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1702,12 +1702,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 50.76 seconds  |
-| Extract time      | 2.34 seconds   |
-| Pre-process time  | 0.43 seconds   |
-| Process time      | 132.85 seconds |
+| Read time         | 51.35 seconds  |
+| Extract time      | 2.51 seconds   |
+| Pre-process time  | 0.42 seconds   |
+| Process time      | 132.41 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 187.28 seconds |
+| Total time        | 187.57 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 0.95
+Time taken for refinement 0.94
 
 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 3.47
+Time taken for refinement 4.13
 
 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 1.10
+Time taken for refinement 1.13
 
 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: 18.2541s 
+Total time taken: 19.2715s 
 
 ================================================================================
 

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 0.94
+Time taken for refinement 0.95
 
 Refinement steps:
 +--------+--------+----------+
@@ -111,7 +111,7 @@ 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 0.62
+Time taken for refinement 0.71
 
 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 2.27
+Time taken for refinement 2.46
 
 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 1.08
+Time taken for refinement 1.20
 
 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: 13.0384s 
+Total time taken: 13.9065s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/last_update b/tutorial_data/master/last_update
@@ -1 +1 @@
-2024-W23
+2024-W24
diff --git a/tutorial_data/master/mpro_x0692/dials.integrate.log b/tutorial_data/master/mpro_x0692/dials.integrate.log
@@ -548,12 +548,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for reference profile formation
 +-------------------+---------------+
-| Read time         | 14.96 seconds |
-| Extract time      | 0.39 seconds  |
+| Read time         | 15.62 seconds |
+| Extract time      | 0.45 seconds  |
 | Pre-process time  | 0.02 seconds  |
-| Process time      | 8.37 seconds  |
+| Process time      | 8.38 seconds  |
 | Post-process time | 0.00 seconds  |
-| Total time        | 23.83 seconds |
+| Total time        | 24.59 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1084,12 +1084,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 15.82 seconds  |
-| Extract time      | 6.08 seconds   |
-| Pre-process time  | 0.25 seconds   |
-| Process time      | 126.35 seconds |
+| Read time         | 16.05 seconds  |
+| Extract time      | 5.91 seconds   |
+| Pre-process time  | 0.24 seconds   |
+| Process time      | 126.75 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 149.29 seconds |
+| Total time        | 149.59 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 6.73
+Time taken for refinement 6.70
 
 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 2.94
+Time taken for refinement 2.92
 
 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 4.15
+Time taken for refinement 4.11
 
 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: 20.0781s 
+Total time taken: 20.0413s 
 
 ================================================================================
 

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 1.13
+Time taken for refinement 1.11
 
 Refinement steps:
 +--------+--------+----------+
@@ -111,7 +111,7 @@ 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 0.65
+Time taken for refinement 0.63
 
 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 2.33
+Time taken for refinement 2.31
 
 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: 8.6465s 
+Total time taken: 8.5895s 
 
 ================================================================================
 

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.1120-g9af1ec126, run on 2024-06-15 at 08:18:23 BST  (2024-06-15
+  From DIALS 3.dev.1120-g9af1ec126, run on 2024-06-22 at 08:17:33 BST  (2024-06-22
 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 26.17
+Time taken for refinement 27.13
 
 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 2.79
+Time taken for refinement 2.80
 
 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 14.19
+Time taken for refinement 14.24
 
 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 3.45
+Time taken for refinement 3.47
 
 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: 52.9658s 
+Total time taken: 54.1428s 
 
 ================================================================================
 

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 1.50
+Time taken for refinement 1.60
 
 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 1.30
+Time taken for refinement 1.34
 
 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 10.55
+Time taken for refinement 10.81
 
 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 3.42
+Time taken for refinement 3.49
 
 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: 22.7002s 
+Total time taken: 23.4594s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/multi_crystal/dials.scale_exclude.log b/tutorial_data/master/multi_crystal/dials.scale_exclude.log
@@ -262,7 +262,7 @@ 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 0.74
+Time taken for refinement 0.87
 
 Refinement steps:
 +--------+--------+----------+
@@ -313,7 +313,7 @@ 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 8.71
+Time taken for refinement 9.34
 
 Refinement steps:
 +--------+--------+----------+
@@ -333,7 +333,7 @@ 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 3.39
+Time taken for refinement 3.82
 
 Refinement steps:
 +--------+--------+----------+
@@ -387,7 +387,7 @@ 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: 19.3480s 
+Total time taken: 20.9452s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/thaumatin/dials.export.log b/tutorial_data/master/thaumatin/dials.export.log
@@ -57,4 +57,4 @@ ROT          R  1      82.0002    162.999
 LP           R  1   0.00281027   0.759215
 QE           R  1     0.714949   0.856056
 History (1 lines):
-From DIALS 3.dev.1120-g9af1ec126, run on 2024-06-15 at 08:13:52 BST  (2024-06-15 at 07:13:52 GMT)
+From DIALS 3.dev.1120-g9af1ec126, run on 2024-06-22 at 08:13:02 BST  (2024-06-22 at 07:13:02 GMT)