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update generated tutorial data (master)
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-65
lines changed

‎tutorial_data/master/betalactamase/dials.integrate.log‎

Lines changed: 9 additions & 9 deletions
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@@ -846,12 +846,12 @@ 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 | 66.93 seconds |
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| Extract time | 0.43 seconds |
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| Pre-process time | 0.12 seconds |
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| Process time | 29.26 seconds |
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| Read time | 66.38 seconds |
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| Extract time | 0.52 seconds |
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| Pre-process time | 0.11 seconds |
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| Process time | 29.33 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 96.93 seconds |
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| Total time | 96.73 seconds |
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+-------------------+---------------+
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================================================================================
@@ -1702,12 +1702,12 @@ 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 | 58.10 seconds |
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| Extract time | 2.78 seconds |
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| Read time | 58.54 seconds |
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| Extract time | 2.82 seconds |
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| Pre-process time | 0.47 seconds |
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| Process time | 147.58 seconds |
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| Process time | 146.83 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 209.83 seconds |
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| Total time | 209.39 seconds |
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+-------------------+----------------+
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Removing 41623 unintegrated reflections of 368701 total

‎tutorial_data/master/betalactamase/dials.report.log‎

Lines changed: 1 addition & 1 deletion
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@@ -16,7 +16,7 @@ Analysing reflection centroids
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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 50261 reflections with intensity <= 0
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Selected 276779 integrated reflections....................................0.03s
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Selected 276779 integrated reflections....................................0.04s
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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

Lines changed: 5 additions & 5 deletions
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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 3.53
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Time taken for refinement 3.55
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Refinement steps:
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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 0.99
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Time taken for refinement 1.01
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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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180-
Time taken for refinement 3.56
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Time taken for refinement 3.60
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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 1.12
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Time taken for refinement 1.13
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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: 18.5379s
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Total time taken: 18.6842s
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================================================================================
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‎tutorial_data/master/betalactamase/dials.scale_cut.log‎

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -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 0.99
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Time taken for refinement 0.98
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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 0.67
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Time taken for refinement 0.66
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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 2.34
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Time taken for refinement 2.32
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Refinement steps:
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+--------+--------+----------+
@@ -180,7 +180,7 @@ 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 1.12
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Time taken for refinement 1.10
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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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uncertainty in the scaling model
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Total time taken: 13.1383s
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Total time taken: 13.1080s
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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

Lines changed: 9 additions & 9 deletions
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@@ -548,12 +548,12 @@ 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 | 17.82 seconds |
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| Extract time | 0.38 seconds |
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| Read time | 17.60 seconds |
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| Extract time | 0.57 seconds |
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| Pre-process time | 0.02 seconds |
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| Process time | 9.23 seconds |
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| Process time | 9.24 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 27.59 seconds |
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| Total time | 27.33 seconds |
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+-------------------+---------------+
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================================================================================
@@ -1084,12 +1084,12 @@ 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 | 21.42 seconds |
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| Extract time | 6.59 seconds |
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| Pre-process time | 0.26 seconds |
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| Process time | 138.49 seconds |
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| Read time | 21.13 seconds |
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| Extract time | 6.77 seconds |
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| Pre-process time | 0.27 seconds |
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| Process time | 137.91 seconds |
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| Post-process time | 0.00 seconds |
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| Total time | 167.85 seconds |
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| Total time | 166.80 seconds |
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+-------------------+----------------+
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Removing 22844 unintegrated reflections of 199389 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 7.66
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Time taken for refinement 7.77
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Refinement steps:
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+--------+--------+----------+
@@ -146,7 +146,7 @@ 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 2.84
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Time taken for refinement 2.87
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Refinement steps:
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+--------+--------+----------+
@@ -209,7 +209,7 @@ 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 4.27
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Time taken for refinement 4.40
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Refinement steps:
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+--------+--------+----------+
@@ -233,7 +233,7 @@ 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 0.88
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Time taken for refinement 0.91
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Refinement steps:
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+--------+--------+----------+
@@ -283,7 +283,7 @@ 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: 20.9045s
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Total time taken: 21.2701s
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================================================================================
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‎tutorial_data/master/mpro_x0692/dials.scale_cut.log‎

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -110,7 +110,7 @@ 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 0.68
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Time taken for refinement 0.69
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Refinement steps:
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+--------+--------+----------+
@@ -160,7 +160,7 @@ 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 2.92
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Time taken for refinement 2.93
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Refinement steps:
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+--------+--------+----------+
@@ -181,7 +181,7 @@ 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 0.92
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Time taken for refinement 0.91
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Refinement steps:
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+--------+--------+----------+
@@ -231,7 +231,7 @@ 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: 9.0767s
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Total time taken: 9.1102s
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================================================================================
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‎tutorial_data/master/multi_crystal/dials.merge.log‎

Lines changed: 1 addition & 1 deletion
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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):
332-
From DIALS 3.dev.1272-gc3eb48f2d, run on 2025-02-22 at 08:20:20 GMT
332+
From DIALS 3.dev.1272-gc3eb48f2d, run on 2025-03-01 at 08:20:31 GMT
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Writing html report to dials.merge.html

‎tutorial_data/master/multi_crystal/dials.scale.log‎

Lines changed: 4 additions & 4 deletions
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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 27.83
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Time taken for refinement 28.08
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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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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 14.63
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Time taken for refinement 14.73
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Refinement steps:
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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 3.57
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Time taken for refinement 3.60
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Refinement steps:
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+--------+--------+----------+
@@ -541,7 +541,7 @@ The reflection table variances have been adjusted to account for the
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uncertainty in the scaling models for all datasets
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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: 55.7693s
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Total time taken: 56.1706s
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================================================================================
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