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update generated tutorial data (master)
1 parent 21770b1 commit bfee6bb

15 files changed

Lines changed: 67 additions & 67 deletions

‎tutorial_data/master/betalactamase/dials.integrate.log‎

Lines changed: 12 additions & 12 deletions
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@@ -865,12 +865,12 @@ Processing reflections in the following blocks of images:
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Timing information for reference profile formation
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+-------------------+---------------+
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| Read time | 63.89 seconds |
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| Extract time | 0.59 seconds |
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| Read time | 62.65 seconds |
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| Extract time | 0.60 seconds |
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| Pre-process time | 0.12 seconds |
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| Process time | 29.41 seconds |
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| Process time | 29.29 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 94.08 seconds |
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| Total time | 92.93 seconds |
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+-------------------+---------------+
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================================================================================
@@ -914,12 +914,12 @@ Processing reflections in the following blocks of images:
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20250826/modules/dials/src/dials/array_family/flex_ext.py:906: FutureWarning: functools.partial will be a method descriptor in future Python versions; wrap it in staticmethod() if you want to preserve the old behavior
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success = self.background_algorithm(experiments).compute_background(
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20250826/modules/dials/src/dials/array_family/flex_ext.py:917: FutureWarning: functools.partial will be a method descriptor in future Python versions; wrap it in staticmethod() if you want to preserve the old behavior
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self.centroid_algorithm(experiments).compute_centroid(
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20250826/modules/dials/src/dials/array_family/flex_ext.py:906: FutureWarning: functools.partial will be a method descriptor in future Python versions; wrap it in staticmethod() if you want to preserve the old behavior
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success = self.background_algorithm(experiments).compute_background(
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20250826/modules/dials/src/dials/array_family/flex_ext.py:917: FutureWarning: functools.partial will be a method descriptor in future Python versions; wrap it in staticmethod() if you want to preserve the old behavior
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self.centroid_algorithm(experiments).compute_centroid(
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20250826/modules/dials/src/dials/array_family/flex_ext.py:917: FutureWarning: functools.partial will be a method descriptor in future Python versions; wrap it in staticmethod() if you want to preserve the old behavior
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self.centroid_algorithm(experiments).compute_centroid(
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@@ -1745,12 +1745,12 @@ Processing reflections in the following blocks of images:
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Timing information for integration
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+-------------------+----------------+
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| Read time | 61.05 seconds |
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| Extract time | 2.71 seconds |
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| Pre-process time | 0.47 seconds |
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| Process time | 149.15 seconds |
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| Read time | 61.24 seconds |
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| Extract time | 2.75 seconds |
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| Pre-process time | 0.48 seconds |
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| Process time | 148.53 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 214.59 seconds |
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| Total time | 214.08 seconds |
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+-------------------+----------------+
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Removing 41640 unintegrated reflections of 368697 total

‎tutorial_data/master/betalactamase/dials.report.log‎

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@@ -24,7 +24,7 @@ Analysing reflection intensities
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Analysing distribution of partialities
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Analysing QE map
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Analysing reference profiles
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Selected 312128 integrated reflections....................................0.03s
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Selected 312128 integrated reflections....................................0.04s
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Analysing reference profile distribution vs x/y
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Analysing reference profile distribution vs z
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Analysing reflection correlations vs resolution

‎tutorial_data/master/betalactamase/dials.scale.log‎

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@@ -67,7 +67,7 @@ Completed preprocessing and initialisation for this dataset.
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 3.24
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Time taken for refinement 3.25
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Refinement steps:
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+--------+--------+----------+
@@ -177,7 +177,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 3.39
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Time taken for refinement 3.41
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Refinement steps:
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+--------+--------+----------+
@@ -248,7 +248,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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The reflection table variances have been adjusted to account for the
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uncertainty in the scaling model
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Total time taken: 18.2721s
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Total time taken: 18.3054s
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================================================================================
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‎tutorial_data/master/betalactamase/dials.scale_cut.log‎

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@@ -68,7 +68,7 @@ Completed preprocessing and initialisation for this dataset.
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 0.92
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Time taken for refinement 0.96
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Refinement steps:
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+--------+--------+----------+
@@ -111,7 +111,7 @@ A round of outlier rejection has been performed,
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 0.61
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Time taken for refinement 0.65
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Refinement steps:
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+--------+--------+----------+
@@ -161,7 +161,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 2.20
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Time taken for refinement 2.19
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Refinement steps:
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+--------+--------+----------+
@@ -230,7 +230,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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The reflection table variances have been adjusted to account for the
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Total time taken: 13.1698s
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Total time taken: 13.2320s
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================================================================================
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‎tutorial_data/master/last_update‎

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@@ -1 +1 @@
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‎tutorial_data/master/mpro_x0692/dials.integrate.log‎

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@@ -572,12 +572,12 @@ Processing reflections in the following blocks of images:
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Timing information for reference profile formation
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+-------------------+---------------+
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| Read time | 20.99 seconds |
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| Extract time | 0.43 seconds |
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| Read time | 21.07 seconds |
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| Extract time | 0.59 seconds |
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| Pre-process time | 0.02 seconds |
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| Process time | 9.35 seconds |
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| Process time | 9.48 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 30.96 seconds |
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| Total time | 31.08 seconds |
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+-------------------+---------------+
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Timing information for integration
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+-------------------+----------------+
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| Read time | 22.87 seconds |
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| Extract time | 6.59 seconds |
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| Pre-process time | 0.28 seconds |
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| Process time | 140.92 seconds |
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| Read time | 23.55 seconds |
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| Extract time | 6.66 seconds |
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| Pre-process time | 0.27 seconds |
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| Process time | 141.01 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 171.67 seconds |
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| Total time | 172.51 seconds |
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+-------------------+----------------+
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Removing 22809 unintegrated reflections of 199349 total

‎tutorial_data/master/mpro_x0692/dials.scale.log‎

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -67,7 +67,7 @@ Completed preprocessing and initialisation for this dataset.
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 6.63
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Time taken for refinement 6.50
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+--------+--------+----------+
@@ -143,7 +143,7 @@ A round of outlier rejection has been performed,
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 1.56
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Time taken for refinement 1.52
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Refinement steps:
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+--------+--------+----------+
@@ -199,7 +199,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 4.16
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Time taken for refinement 4.12
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+--------+--------+----------+
@@ -223,7 +223,7 @@ RMSD no longer decreasing
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 0.86
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Time taken for refinement 0.85
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+--------+--------+----------+
@@ -273,7 +273,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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The reflection table variances have been adjusted to account for the
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Total time taken: 18.7760s
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Total time taken: 18.5250s
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================================================================================
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‎tutorial_data/master/mpro_x0692/dials.scale_cut.log‎

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@@ -108,7 +108,7 @@ A round of outlier rejection has been performed,
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 0.62
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Time taken for refinement 0.63
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+--------+--------+----------+
@@ -179,7 +179,7 @@ RMSD no longer decreasing
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 0.87
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Time taken for refinement 0.89
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+--------+--------+----------+
@@ -229,7 +229,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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The reflection table variances have been adjusted to account for the
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Total time taken: 8.6673s
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Total time taken: 8.6818s
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================================================================================
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‎tutorial_data/master/multi_crystal/dials.merge.log‎

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@@ -329,5 +329,5 @@ SIGF(-) L 1 0.0556057 1.32954
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DANO D 1 -3.81385 3.46364
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SIGDANO Q 1 0.0799557 1.60514
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History (1 lines):
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From DIALS 3.dev.1362-g1e0a33a68, run on 2025-08-30 at 08:21:27 BST (2025-08-30 at 07:21:27 GMT)
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From DIALS 3.dev.1362-g1e0a33a68, run on 2025-09-06 at 08:21:23 BST (2025-09-06 at 07:21:23 GMT)
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Writing html report to dials.merge.html

‎tutorial_data/master/multi_crystal/dials.scale.log‎

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@@ -227,7 +227,7 @@ Completed configuration of MultiScaler.
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 25.33
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Time taken for refinement 25.45
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Refinement steps:
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+--------+--------+----------+
@@ -464,7 +464,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 14.02
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Time taken for refinement 14.03
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+--------+--------+----------+
@@ -487,7 +487,7 @@ RMSD no longer decreasing
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Components to be refined in this cycle for all datasets: scale, decay, absorption
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 3.42
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Time taken for refinement 3.46
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@@ -541,7 +541,7 @@ The reflection table variances have been adjusted to account for the
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Using median unit cell across experiments : (68.3603, 68.3603, 103.953, 90, 90, 90)
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Total time taken: 52.3635s
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Total time taken: 52.5770s
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================================================================================
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