update generated tutorial data (master)

dials · Dec 21, 2024 · 9cbd677 · 9cbd677
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commit 9cbd677
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Showing 14 changed files with 59 additions and 59 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         | 59.59 seconds |
-| Extract time      | 0.71 seconds  |
+| Read time         | 61.71 seconds |
+| Extract time      | 0.60 seconds  |
 | Pre-process time  | 0.11 seconds  |
-| Process time      | 29.07 seconds |
+| Process time      | 29.11 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 89.73 seconds |
+| Total time        | 91.71 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1702,12 +1702,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 50.26 seconds  |
-| Extract time      | 2.48 seconds   |
-| Pre-process time  | 0.45 seconds   |
-| Process time      | 144.49 seconds |
+| Read time         | 53.71 seconds  |
+| Extract time      | 2.31 seconds   |
+| Pre-process time  | 0.44 seconds   |
+| Process time      | 146.08 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 198.65 seconds |
+| Total time        | 203.64 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 3.55
+Time taken for refinement 3.47
 
 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 0.99
+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 3.54
+Time taken for refinement 3.49
 
 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 1.12
+Time taken for refinement 1.10
 
 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: 18.4561s 
+Total time taken: 18.3237s 
 
 ================================================================================
 

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 0.98
 
 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 2.28
+Time taken for refinement 2.29
 
 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: 12.9002s 
+Total time taken: 13.1115s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/last_update b/tutorial_data/master/last_update
@@ -1 +1 @@
-2024-W49
+2024-W50
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         | 15.04 seconds |
-| Extract time      | 0.48 seconds  |
+| Read time         | 15.30 seconds |
+| Extract time      | 0.41 seconds  |
 | Pre-process time  | 0.02 seconds  |
-| Process time      | 9.16 seconds  |
+| Process time      | 9.17 seconds  |
 | Post-process time | 0.00 seconds  |
-| Total time        | 24.64 seconds |
+| Total time        | 24.86 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1084,12 +1084,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 15.84 seconds  |
-| Extract time      | 6.13 seconds   |
+| Read time         | 18.51 seconds  |
+| Extract time      | 5.96 seconds   |
 | Pre-process time  | 0.25 seconds   |
-| Process time      | 136.63 seconds |
+| Process time      | 136.12 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 159.84 seconds |
+| Total time        | 161.90 seconds |
 +-------------------+----------------+
 
 Removing 22837 unintegrated reflections of 199395 total

diff --git a/tutorial_data/master/mpro_x0692/dials.report.log b/tutorial_data/master/mpro_x0692/dials.report.log
@@ -16,7 +16,7 @@ Analysing reflection centroids
  Analysing centroid differences vs phi with I/Sigma > 10
 Analysing reflection intensities
  Removing 49608 reflections with intensity <= 0
- Selected 126627 integrated reflections....................................0.03s
+ Selected 126627 integrated reflections....................................0.02s
  Analysing distribution of I/Sigma
  Analysing distribution of I/Sigma vs xy
  Analysing distribution of I/Sigma vs xy

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 7.07
+Time taken for refinement 6.97
 
 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 3.09
+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 4.27
+Time taken for refinement 4.23
 
 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 0.89
+Time taken for refinement 0.88
 
 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: 20.8151s 
+Total time taken: 20.5467s 
 
 ================================================================================
 

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 1.16
+Time taken for refinement 1.15
 
 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 0.67
+Time taken for refinement 0.66
 
 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 2.41
+Time taken for refinement 2.37
 
 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 0.91
+Time taken for refinement 0.89
 
 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: 8.8220s 
+Total time taken: 8.7046s 
 
 ================================================================================
 

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.1243-gd06ef435d, run on 2024-12-14 at 08:19:09 GMT
+From DIALS 3.dev.1243-gd06ef435d, run on 2024-12-21 at 08:18:52 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 27.28
+Time taken for refinement 27.29
 
 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 3.50
+Time taken for refinement 3.51
 
 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: 54.6296s 
+Total time taken: 54.7259s 
 
 ================================================================================
 

diff --git a/tutorial_data/master/multi_crystal/dials.scale_cut.log b/tutorial_data/master/multi_crystal/dials.scale_cut.log
@@ -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 1.17
+Time taken for refinement 1.18
 
 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 10.87
+Time taken for refinement 10.78
 
 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 3.52
+Time taken for refinement 3.51
 
 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: 23.3449s 
+Total time taken: 23.2748s 
 
 ================================================================================
 

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 0.78
+Time taken for refinement 0.79
 
 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 8.94
+Time taken for refinement 9.10
 
 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 3.48
+Time taken for refinement 3.54
 
 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: 19.9962s 
+Total time taken: 20.2849s 
 
 ================================================================================
 

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.1243-gd06ef435d, run on 2024-12-14 at 08:14:05 GMT
+From DIALS 3.dev.1243-gd06ef435d, run on 2024-12-21 at 08:13:57 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         | 21.31 seconds |
-| Extract time      | 0.85 seconds  |
+| Read time         | 23.89 seconds |
+| Extract time      | 0.84 seconds  |
 | Pre-process time  | 0.13 seconds  |
-| Process time      | 31.34 seconds |
+| Process time      | 31.35 seconds |
 | Post-process time | 0.00 seconds  |
-| Total time        | 53.94 seconds |
+| Total time        | 56.49 seconds |
 +-------------------+---------------+
 
 ================================================================================
@@ -1022,12 +1022,12 @@ Processing reflections in the following blocks of images:
 
 Timing information for integration
 +-------------------+----------------+
-| Read time         | 19.85 seconds  |
-| Extract time      | 2.94 seconds   |
-| Pre-process time  | 0.48 seconds   |
-| Process time      | 118.79 seconds |
+| Read time         | 21.69 seconds  |
+| Extract time      | 2.96 seconds   |
+| Pre-process time  | 0.47 seconds   |
+| Process time      | 119.17 seconds |
 | Post-process time | 0.00 seconds   |
-| Total time        | 143.05 seconds |
+| Total time        | 145.33 seconds |
 +-------------------+----------------+
 
 Removing 40904 unintegrated reflections of 384161 total