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update generated tutorial data (master)
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14 files changed

Lines changed: 78 additions & 78 deletions

‎tutorial_data/master/betalactamase/dials.integrate.log‎

Lines changed: 14 additions & 14 deletions
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@@ -162,12 +162,12 @@ Processing reflections in the following blocks of images:
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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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165-
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
166-
self.centroid_algorithm(experiments).compute_centroid(
167-
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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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168+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
169+
self.centroid_algorithm(experiments).compute_centroid(
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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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@@ -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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+-------------------+---------------+
868-
| Read time | 57.55 seconds |
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| Extract time | 0.63 seconds |
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| Read time | 62.03 seconds |
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| Extract time | 0.59 seconds |
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| Pre-process time | 0.12 seconds |
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| Process time | 29.28 seconds |
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| Process time | 29.14 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 87.69 seconds |
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| Total time | 92.18 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-dev20260120/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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917-
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
918-
self.centroid_algorithm(experiments).compute_centroid(
919-
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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-dev20260120/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-dev20260120/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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+-------------------+----------------+
1748-
| Read time | 65.19 seconds |
1749-
| Extract time | 2.64 seconds |
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| Read time | 62.70 seconds |
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| Extract time | 2.68 seconds |
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| Pre-process time | 0.48 seconds |
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| Process time | 148.23 seconds |
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| Process time | 148.14 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 217.67 seconds |
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| Total time | 214.92 seconds |
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+-------------------+----------------+
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Removing 41640 unintegrated reflections of 368697 total

‎tutorial_data/master/betalactamase/dials.scale.log‎

Lines changed: 4 additions & 4 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 3.34
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Time taken for refinement 3.24
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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 3.38
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Time taken for refinement 3.42
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Refinement steps:
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+--------+--------+----------+
@@ -198,7 +198,7 @@ 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 1.06
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Time taken for refinement 1.07
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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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Total time taken: 18.2721s
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Total time taken: 18.2037s
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================================================================================
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‎tutorial_data/master/betalactamase/dials.scale_cut.log‎

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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 0.62
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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: 13.0633s
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Total time taken: 13.0831s
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================================================================================
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‎tutorial_data/master/last_update‎

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

Lines changed: 15 additions & 15 deletions
Original file line numberDiff line numberDiff line change
@@ -157,12 +157,12 @@ Processing reflections in the following blocks of images:
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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-dev20260120/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
161-
success = self.background_algorithm(experiments).compute_background(
162-
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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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163+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
164+
success = self.background_algorithm(experiments).compute_background(
165+
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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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@@ -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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+-------------------+---------------+
575-
| Read time | 20.96 seconds |
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| Extract time | 0.39 seconds |
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| Read time | 22.96 seconds |
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| Extract time | 0.47 seconds |
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| Pre-process time | 0.02 seconds |
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| Process time | 9.28 seconds |
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| Process time | 9.43 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 30.89 seconds |
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| Total time | 32.97 seconds |
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+-------------------+---------------+
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@@ -615,15 +615,15 @@ Processing reflections in the following blocks of images:
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
616616
success = self.background_algorithm(experiments).compute_background(
617617

618-
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
619-
self.centroid_algorithm(experiments).compute_centroid(
620-
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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(
623620

624621
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
625622
self.centroid_algorithm(experiments).compute_centroid(
626623

624+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
625+
self.centroid_algorithm(experiments).compute_centroid(
626+
627627
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20260120/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
628628
success = self.background_algorithm(experiments).compute_background(
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11331133
Timing information for integration
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+-------------------+----------------+
1135-
| Read time | 23.49 seconds |
1136-
| Extract time | 6.77 seconds |
1137-
| Pre-process time | 0.29 seconds |
1138-
| Process time | 140.49 seconds |
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| Read time | 24.33 seconds |
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| Extract time | 6.98 seconds |
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| Pre-process time | 0.30 seconds |
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| Process time | 140.63 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 171.98 seconds |
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| Total time | 173.36 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 6.57
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Time taken for refinement 6.71
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Refinement steps:
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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 1.74
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Time taken for refinement 1.61
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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 4.55
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Time taken for refinement 4.48
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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 0.94
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Time taken for refinement 0.95
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@@ -273,7 +273,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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Total time taken: 19.8498s
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Total time taken: 19.7759s
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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 0.64
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+--------+--------+----------+
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 2.81
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Time taken for refinement 2.80
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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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Total time taken: 8.7449s
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Total time taken: 8.7177s
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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 -3.81384 3.46364
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SIGDANO Q 1 0.0799556 1.60514
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History (1 lines):
332-
From DIALS 3.dev.1399-g5d3eb2eaa, run on 2026-01-24 at 08:21:08 GMT
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From DIALS 3.dev.1399-g5d3eb2eaa, run on 2026-01-31 at 08:21:57 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 25.19
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Time taken for refinement 25.41
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@@ -402,7 +402,7 @@ Combined outlier rejection has been performed across multiple datasets,
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Time taken for refinement 2.65
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Time taken for refinement 2.66
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@@ -464,7 +464,7 @@ are expected to be ~1.0 for reliable errors (sigmas).
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Time taken for refinement 13.91
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Time taken for refinement 14.34
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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 3.44
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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: 51.9313s
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Total time taken: 52.6838s
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================================================================================
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‎tutorial_data/master/multi_crystal/dials.scale_cut.log‎

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@@ -222,7 +222,7 @@ 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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Time taken for refinement 1.46
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@@ -266,7 +266,7 @@ Combined outlier rejection has been performed across multiple datasets,
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Performing a round of scaling with an LBFGS minimizer.
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Time taken for refinement 1.09
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Time taken for refinement 1.07
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@@ -319,7 +319,7 @@ 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 10.66
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Time taken for refinement 10.48
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@@ -340,7 +340,7 @@ RMSD no longer decreasing
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Performing a round of scaling with a Levenberg-Marquardt minimizer.
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Time taken for refinement 3.45
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Time taken for refinement 3.40
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+--------+--------+----------+
@@ -394,7 +394,7 @@ 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: 22.9949s
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Total time taken: 22.7679s
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================================================================================
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