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update generated tutorial data (master)
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‎tutorial_data/master/betalactamase/dials.integrate.log‎

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@@ -147,28 +147,28 @@ Processing reflections in the following blocks of images:
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Using multiprocessing with 4 parallel job(s)
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251122/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
150+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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
156+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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
162+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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
165+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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
168+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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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Timing information for reference profile formation
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+-------------------+---------------+
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| Read time | 65.82 seconds |
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| Read time | 64.20 seconds |
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| Extract time | 0.63 seconds |
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| Pre-process time | 0.12 seconds |
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| Process time | 27.22 seconds |
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| Process time | 27.31 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 93.88 seconds |
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| Total time | 92.57 seconds |
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+-------------------+---------------+
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================================================================================
@@ -899,28 +899,28 @@ Processing reflections in the following blocks of images:
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Using multiprocessing with 4 parallel job(s)
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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251122/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
902+
/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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-dev20251122/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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/dls/science/groups/scisoft/DIALS/CD/latest/dials-dev20251129/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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Timing information for integration
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+-------------------+----------------+
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| Read time | 65.01 seconds |
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| Extract time | 3.24 seconds |
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| Pre-process time | 0.48 seconds |
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| Process time | 137.94 seconds |
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| Read time | 62.55 seconds |
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| Extract time | 3.21 seconds |
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| Pre-process time | 0.46 seconds |
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| Process time | 139.62 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 207.71 seconds |
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| Total time | 207.00 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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@@ -6,17 +6,17 @@ input {
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}
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Analysing strong spots
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Selected 96848 strong reflections.........................................0.04s
9+
Selected 96848 strong reflections.........................................0.03s
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Analysing reflection centroids
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Removing 2053 partial reflections
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Selected 311780 summation-integrated reflections..........................0.10s
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Selected 311780 summation-integrated reflections..........................0.07s
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Analysing centroid differences with I/Sigma > 10
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Analysing centroid differences in x/y with I/Sigma > 10
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Analysing centroid differences in z with I/Sigma > 10
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Analysing centroid differences vs phi with I/Sigma > 10
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Analysing reflection intensities
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Removing 50249 reflections with intensity <= 0
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Selected 276771 integrated reflections....................................0.06s
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Selected 276771 integrated reflections....................................0.03s
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Analysing distribution of I/Sigma
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Analysing distribution of I/Sigma vs xy
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Analysing distribution of I/Sigma vs xy

‎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 3.44
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Time taken for refinement 3.79
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+--------+--------+----------+
@@ -125,7 +125,7 @@ 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 0.95
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Time taken for refinement 1.10
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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 3.50
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Time taken for refinement 4.13
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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 1.13
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Time taken for refinement 1.31
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Refinement steps:
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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: 19.1869s
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Total time taken: 21.1072s
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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 1.04
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Time taken for refinement 1.06
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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 2.63
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Time taken for refinement 2.64
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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 1.25
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Time taken for refinement 1.28
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The reflection table variances have been adjusted to account for the
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Total time taken: 14.5894s
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Total time taken: 14.9166s
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================================================================================
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‎tutorial_data/master/last_update‎

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