update generated tutorial data (master)

dials · Oct 5, 2024 · 8161455 · 8161455
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commit 8161455
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Showing 13 changed files with 52 additions and 52 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         | 65.34 seconds |
-| Extract time      | 0.51 seconds  |
+| Read time         | 62.63 seconds |
+| Extract time      | 0.50 seconds  |
 | Pre-process time  | 0.11 seconds  |
-| Process time      | 27.15 seconds |
+| Process time      | 27.13 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 93.36 seconds |
+| Total time        | 90.66 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1702,12 +1702,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 60.56 seconds  |
-| Extract time      | 2.46 seconds   |
+| Read time         | 56.21 seconds  |
+| Extract time      | 2.59 seconds   |
 | Pre-process time  | 0.44 seconds   |
-| Process time      | 139.60 seconds |
+| Process time      | 139.33 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 203.91 seconds |
+| Total time        | 199.57 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
@@ -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 3.43
+Time taken for refinement 3.46
 
 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 0.96
+Time taken for refinement 0.98
 
 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 3.44
+Time taken for refinement 3.54
 
 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 1.09
+Time taken for refinement 1.12
 
 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: 18.2006s 
+Total time taken: 18.3536s 
 
 ================================================================================
 

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 0.97
+Time taken for refinement 0.96
 
 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 0.64
 
 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 2.29
+Time taken for refinement 2.28
 
 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 1.09
+Time taken for refinement 1.08
 
 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: 13.0459s 
+Total time taken: 12.9270s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/last_update b/tutorial_data/master/last_update
@@ -1 +1 @@
-2024-W38
+2024-W39
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         | 18.82 seconds |
-| Extract time      | 0.39 seconds  |
+| Read time         | 18.11 seconds |
+| Extract time      | 0.56 seconds  |
 | Pre-process time  | 0.02 seconds  |
 | Process time      | 8.78 seconds  |
 | Post-process time | 0.00 seconds  |
-| Total time        | 28.09 seconds |
+| Total time        | 27.45 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1084,12 +1084,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 22.73 seconds  |
-| Extract time      | 6.60 seconds   |
+| Read time         | 21.77 seconds  |
+| Extract time      | 6.51 seconds   |
 | Pre-process time  | 0.27 seconds   |
-| Process time      | 132.56 seconds |
+| Process time      | 132.37 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 163.22 seconds |
+| Total time        | 161.92 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
@@ -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 3.05
+Time taken for refinement 3.03
 
 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 4.24
+Time taken for refinement 4.13
 
 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: 20.5151s 
+Total time taken: 20.3842s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/mpro_x0692/dials.scale_cut.log b/tutorial_data/master/mpro_x0692/dials.scale_cut.log
@@ -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: 8.6391s 
+Total time taken: 8.6748s 
 
 ================================================================================
 

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 2024-09-28 at 08:19:27 BST  (2024-09-28 at 07:19:27 GMT)
+From DIALS 3.dev.1178-g65a4d2d46, run on 2024-10-05 at 08:19:26 BST  (2024-10-05 at 07:19:26 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 26.58
+Time taken for refinement 27.34
 
 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 2.83
+Time taken for refinement 2.91
 
 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 14.09
+Time taken for refinement 14.53
 
 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 3.43
+Time taken for refinement 3.50
 
 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: 53.3766s 
+Total time taken: 55.1970s 
 
 ================================================================================
 

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 1.53
+Time taken for refinement 1.54
 
 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 1.14
+Time taken for refinement 1.15
 
 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 10.59
+Time taken for refinement 10.76
 
 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 3.43
+Time taken for refinement 3.50
 
 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: 22.8591s 
+Total time taken: 23.1231s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/multi_crystal/dials.scale_exclude.log b/tutorial_data/master/multi_crystal/dials.scale_exclude.log
@@ -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: 19.9037s 
+Total time taken: 19.8647s 
 
 ================================================================================
 

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 2024-09-28 at 08:14:33 BST  (2024-09-28 at 07:14:33 GMT)
+From DIALS 3.dev.1178-g65a4d2d46, run on 2024-10-05 at 08:14:29 BST  (2024-10-05 at 07:14:29 GMT)
diff --git a/tutorial_data/master/thaumatin/dials.integrate.log b/tutorial_data/master/thaumatin/dials.integrate.log
@@ -346,12 +346,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for reference profile formation
 +-------------------+---------------+
-| Read time         | 23.15 seconds |
-| Extract time      | 0.81 seconds  |
+| Read time         | 23.59 seconds |
+| Extract time      | 0.86 seconds  |
 | Pre-process time  | 0.13 seconds  |
-| Process time      | 30.26 seconds |
+| Process time      | 30.12 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 54.41 seconds |
+| Total time        | 55.04 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1022,12 +1022,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 27.34 seconds  |
-| Extract time      | 3.14 seconds   |
-| Pre-process time  | 0.47 seconds   |
-| Process time      | 114.89 seconds |
+| Read time         | 26.60 seconds  |
+| Extract time      | 3.37 seconds   |
+| Pre-process time  | 0.49 seconds   |
+| Process time      | 114.92 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 147.11 seconds |
+| Total time        | 146.38 seconds |
 +-------------------+----------------+
 
 Removing 40904 unintegrated reflections of 384161 total