update generated tutorial data (master)

dials · Sep 28, 2024 · 0293785 · 0293785
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commit 0293785
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Showing 14 changed files with 63 additions and 63 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         | 63.30 seconds |
-| Extract time      | 0.50 seconds  |
+| Read time         | 65.34 seconds |
+| Extract time      | 0.51 seconds  |
 | Pre-process time  | 0.11 seconds  |
-| Process time      | 27.41 seconds |
+| Process time      | 27.15 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 91.59 seconds |
+| Total time        | 93.36 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1702,12 +1702,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 60.24 seconds  |
-| Extract time      | 2.40 seconds   |
-| Pre-process time  | 0.46 seconds   |
-| Process time      | 139.41 seconds |
+| Read time         | 60.56 seconds  |
+| Extract time      | 2.46 seconds   |
+| Pre-process time  | 0.44 seconds   |
+| Process time      | 139.60 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 203.58 seconds |
+| Total time        | 203.91 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 3.48
+Time taken for refinement 3.43
 
 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 0.98
+Time taken for refinement 0.96
 
 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 3.54
+Time taken for refinement 3.44
 
 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 1.13
+Time taken for refinement 1.09
 
 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: 18.4331s 
+Total time taken: 18.2006s 
 
 ================================================================================
 

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 2.30
+Time taken for refinement 2.29
 
 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 1.10
+Time taken for refinement 1.09
 
 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: 13.0069s 
+Total time taken: 13.0459s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/last_update b/tutorial_data/master/last_update
@@ -1 +1 @@
-2024-W37
+2024-W38
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         | 18.23 seconds |
-| Extract time      | 0.40 seconds  |
+| Read time         | 18.82 seconds |
+| Extract time      | 0.39 seconds  |
 | Pre-process time  | 0.02 seconds  |
-| Process time      | 8.81 seconds  |
+| Process time      | 8.78 seconds  |
 | Post-process time | 0.00 seconds  |
-| Total time        | 27.57 seconds |
+| Total time        | 28.09 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1084,12 +1084,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 21.98 seconds  |
-| Extract time      | 6.76 seconds   |
-| Pre-process time  | 0.26 seconds   |
-| Process time      | 132.35 seconds |
+| Read time         | 22.73 seconds  |
+| Extract time      | 6.60 seconds   |
+| Pre-process time  | 0.27 seconds   |
+| Process time      | 132.56 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 162.20 seconds |
+| Total time        | 163.22 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 6.96
+Time taken for refinement 6.92
 
 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 3.06
+Time taken for refinement 3.05
 
 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 4.18
+Time taken for refinement 4.24
 
 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 0.88
+Time taken for refinement 0.87
 
 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: 20.4823s 
+Total time taken: 20.5151s 
 
 ================================================================================
 

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 1.15
+Time taken for refinement 1.14
 
 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 2.39
+Time taken for refinement 2.36
 
 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 0.89
+Time taken for refinement 0.87
 
 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: 8.6991s 
+Total time taken: 8.6391s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/multi_crystal/dials.merge.log b/tutorial_data/master/multi_crystal/dials.merge.log
@@ -329,5 +329,5 @@ SIGF(-)      L  1    0.0556057    1.32954
 DANO         D  1     -3.81385    3.46364
 SIGDANO      Q  1    0.0799557    1.60514
 History (1 lines):
-From DIALS 3.dev.1178-g65a4d2d46, run on 2024-09-21 at 08:20:03 BST  (2024-09-21 at 07:20:03 GMT)
+From DIALS 3.dev.1178-g65a4d2d46, run on 2024-09-28 at 08:19:27 BST  (2024-09-28 at 07:19:27 GMT)
 Writing html report to dials.merge.html
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 27.60
+Time taken for refinement 26.58
 
 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 2.96
+Time taken for refinement 2.83
 
 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 14.57
+Time taken for refinement 14.09
 
 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 3.43
 
 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: 55.3095s 
+Total time taken: 53.3766s 
 
 ================================================================================
 

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 1.54
+Time taken for refinement 1.53
 
 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 1.15
+Time taken for refinement 1.14
 
 Refinement steps:
 +--------+--------+----------+
@@ -319,7 +319,7 @@ 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 10.77
+Time taken for refinement 10.59
 
 Refinement steps:
 +--------+--------+----------+
@@ -340,7 +340,7 @@ 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 3.50
+Time taken for refinement 3.43
 
 Refinement steps:
 +--------+--------+----------+
@@ -394,7 +394,7 @@ 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: 23.0458s 
+Total time taken: 22.8591s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/multi_crystal/dials.scale_exclude.log b/tutorial_data/master/multi_crystal/dials.scale_exclude.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 0.84
+Time taken for refinement 0.77
 
 Refinement steps:
 +--------+--------+----------+
@@ -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 0.82
+Time taken for refinement 0.76
 
 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 9.07
+Time taken for refinement 8.92
 
 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 3.50
+Time taken for refinement 3.48
 
 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: 20.6696s 
+Total time taken: 19.9037s 
 
 ================================================================================
 

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.1178-g65a4d2d46, run on 2024-09-21 at 08:15:03 BST  (2024-09-21 at 07:15:03 GMT)
+From DIALS 3.dev.1178-g65a4d2d46, run on 2024-09-28 at 08:14:33 BST  (2024-09-28 at 07:14:33 GMT)