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[git/dials] master: some improvements to the tutorial text (3f356cb)

DIALS Commit via DLS Jenkins

Fri, 29 Apr 2016 16:17:03 +0100

751 lines

[git/dials] master: commenting no longer needed log print part 2 (ca79618)

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Fri, 29 Apr 2016 11:23:18 +0100

76 lines

[git/dials] master: commenting no longer needed log print (65f7110)

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Fri, 29 Apr 2016 11:07:32 +0100

135 lines

[git/dials] master: bug fix for reflection viewer, part 2, removing some log outputs (7a77a46)

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Thu, 28 Apr 2016 14:22:00 +0100

141 lines

[git/dials] master: cleanup dead code (75aeca2)

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Thu, 28 Apr 2016 12:10:39 +0100

177 lines

[git/dials] master: reorganise output of refined model and number of indexed/unindexed reflections: turns out that the number of unindexed previously reported was not entirely accurate (5617d3f)

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Thu, 28 Apr 2016 12:10:39 +0100

414 lines

[git/dials] master: remove n_rejects from assign_indices (547a4c4)

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Thu, 28 Apr 2016 12:10:39 +0100

235 lines

[git/dials] master: remove tutorial script that now bears little resemblance to actual tutorial (7117d65)

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Thu, 28 Apr 2016 12:10:39 +0100

587 lines

[git/dials] master: also print initial indexed crystal models (7318d91)

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Thu, 28 Apr 2016 12:10:39 +0100

129 lines

[git/dials] master: include correct command (3282c6f)

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Thu, 28 Apr 2016 09:58:27 +0100

81 lines

[git/dials] master: some file renames (cf3fb81)

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Thu, 28 Apr 2016 09:56:31 +0100

111 lines

[git/dials] master: do not literalinclude the import command as we want a generic path (4b43d5b)

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Thu, 28 Apr 2016 09:48:49 +0100

91 lines

[git/dials] master: deal internally with patterson group symmetry, only convert to provided space group immediately before refinement: fixes #125 (e6bf3c4)

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Wed, 27 Apr 2016 17:23:21 +0100

295 lines

[git/dials] master: bug fix for reflection viewer, part 1 (288d1dc)

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Wed, 27 Apr 2016 16:28:46 +0100

318 lines

[git/dials] master: do not literally include literalinclude (7be30fb)

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Wed, 27 Apr 2016 16:09:33 +0100

80 lines

[git/dials] master: check in current versions of cmds and logs (will be regenerated for the website anyway by Jenkins) (de46bd4)

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Wed, 27 Apr 2016 16:07:58 +0100

106 lines

[git/dials] master: literalinclude job commands and more logs (9e2dc98)

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Wed, 27 Apr 2016 16:02:55 +0100

464 lines

[git/dials] master: keep track of more jobs: reindex, static refine and export (1b04b1c)

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Wed, 27 Apr 2016 15:58:33 +0100

133 lines

[git/dials] master: also keep track of job commands, so these can be literalincluded in the tutorial text as well as the log files (7118d05)

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Wed, 27 Apr 2016 15:32:37 +0100

277 lines

[git/dials] master: exclude reflections with overload flag set from refinement (7745067)

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Wed, 27 Apr 2016 14:53:47 +0100

109 lines

[git/dials] master: Updated to use directed distance etc (63915e3)

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Wed, 27 Apr 2016 14:11:38 +0100

278 lines

[git/dials_scratch] master: Useing get_directed_distance etc (815e421)

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Wed, 27 Apr 2016 12:22:50 +0100

174 lines

[git/dials] master: Add directories to autocompletion. Fixes #116 (76aa167)

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Wed, 27 Apr 2016 12:03:34 +0100

126 lines

[git/dials] master: more intuitive to assume no specfic inclusions means include everything (524e664)

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Wed, 27 Apr 2016 11:03:29 +0100

116 lines

[git/dials] master: automagically populate phil choice with all the flag names (5f38517)

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Wed, 27 Apr 2016 11:03:29 +0100

163 lines

[git/dials] master: If no filter is specified, print a table of which flags are present in the input instead (43c591c)

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Wed, 27 Apr 2016 11:03:29 +0100

179 lines

[git/dials] master: Check for overloads in spot finder (c7acefb)

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Wed, 27 Apr 2016 10:57:22 +0100

159 lines

[git/dials] master: Fix resolution rings for EIGER, where get_distance() returns negative values. (064328a)

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Wed, 27 Apr 2016 18:32:09 +0900

79 lines

[git/dials] master: increase tolerance for indexing test (18be81c)

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Tue, 26 Apr 2016 16:58:06 +0100

97 lines

[git/dials] master: update so it actually does what is written on the webpage (c557a61)

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Tue, 26 Apr 2016 14:54:28 +0100

168 lines

[git/dials] master: clean up xml output (8141e17)

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Tue, 26 Apr 2016 10:24:14 +0100

83 lines

[git/dials] master: clean up xml output (8141e17)

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Tue, 26 Apr 2016 10:24:14 +0100

83 lines

[git/dials] master: bug fix if no scan object (37d526d)

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Tue, 26 Apr 2016 09:23:16 +0100

88 lines

[git/dials] master: bug fix if no scan object (37d526d)

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Tue, 26 Apr 2016 09:23:16 +0100

88 lines

[git/dials] master: separate_blocks=False to speed this test up (c170240)

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Mon, 25 Apr 2016 15:40:00 +0100

85 lines

[git/dials] master: separate_blocks=False to speed this test up (c170240)

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Mon, 25 Apr 2016 15:40:00 +0100

85 lines

[git/dials] master: bug fix (a31f0a4)

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Mon, 25 Apr 2016 15:39:59 +0100

86 lines

[git/dials] master: More info for log (8722177)

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Mon, 25 Apr 2016 15:39:59 +0100

103 lines

[git/dials] master: fix test using old defaults (a7e5b04)

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Mon, 25 Apr 2016 15:39:59 +0100

84 lines

[git/dials] master: if doing stills ensure block_width is None (8713097)

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Mon, 25 Apr 2016 15:39:59 +0100

119 lines

[git/dials] master: increase default block width: tests with https://data.sbgrid.org/dataset/117/ show similar results from block_width=5 all the way up to block_width=50, but small block_widths are a signiifcant overhead for the mcd method (a920db2)

DIALS Commit via DLS Jenkins

Mon, 25 Apr 2016 15:39:59 +0100

89 lines

[git/dials] master: more reflections pass outlier rejection now, producing different expected RMSDs for the test (2da1675)

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Mon, 25 Apr 2016 15:39:59 +0100

80 lines

[git/dials] master: New option outlier.separate_blocks=True (default) splits outlier rejection jobs for scans into equal-width phi blocks. Fixes #122 (ee0f5c9)

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Mon, 25 Apr 2016 15:39:59 +0100

532 lines

[git/dials] master: bug fix: cannot call flex.min on an empty array (bbca426)

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Mon, 25 Apr 2016 15:39:59 +0100

82 lines

[git/dials] master: convert outlier vs experiment table to complete outlier vs job in debug log (ae6d738)

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Mon, 25 Apr 2016 15:39:59 +0100

322 lines

[git/dials] master: bug fix (a31f0a4)

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Mon, 25 Apr 2016 15:39:59 +0100

86 lines

[git/dials] master: More info for log (8722177)

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Mon, 25 Apr 2016 15:39:59 +0100

103 lines

[git/dials] master: if doing stills ensure block_width is None (8713097)

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Mon, 25 Apr 2016 15:39:59 +0100

119 lines

[git/dials] master: fix test using old defaults (a7e5b04)

DIALS Commit via DLS Jenkins

Mon, 25 Apr 2016 15:39:59 +0100

84 lines

[git/dials] master: increase default block width: tests with https://data.sbgrid.org/dataset/117/ show similar results from block_width=5 all the way up to block_width=50, but small block_widths are a signiifcant overhead for the mcd method (a920db2)

DIALS Commit via DLS Jenkins

Mon, 25 Apr 2016 15:39:59 +0100

89 lines

[git/dials] master: more reflections pass outlier rejection now, producing different expected RMSDs for the test (2da1675)

DIALS Commit via DLS Jenkins

Mon, 25 Apr 2016 15:39:59 +0100

80 lines

[git/dials] master: New option outlier.separate_blocks=True (default) splits outlier rejection jobs for scans into equal-width phi blocks. Fixes #122 (ee0f5c9)

DIALS Commit via DLS Jenkins

Mon, 25 Apr 2016 15:39:59 +0100

532 lines

[git/dials] master: bug fix: cannot call flex.min on an empty array (bbca426)

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Mon, 25 Apr 2016 15:39:59 +0100

82 lines

[git/dials] master: convert outlier vs experiment table to complete outlier vs job in debug log (ae6d738)

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Mon, 25 Apr 2016 15:39:59 +0100

322 lines

[git/dials] master: Merge pull request #124 from biochem-fan/rs_mapper_fix (0fb8141)

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Mon, 25 Apr 2016 08:10:22 +0100

54 lines

[git/dials] master: Merge pull request #124 from biochem-fan/rs_mapper_fix (0fb8141)

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Mon, 25 Apr 2016 08:10:22 +0100

54 lines

[git/dials] master: Added the default output filename to rs_mapper. (c758758)

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Mon, 25 Apr 2016 09:42:29 +0900

71 lines

[git/dials] master: Added the default output filename to rs_mapper. (c758758)

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Mon, 25 Apr 2016 09:42:29 +0900

71 lines

[git/dials_scratch] master: Add two new plots of RSMD vs. either panel group or by two theta. (eb96b34)

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Fri, 22 Apr 2016 14:22:59 -0700

517 lines

[git/dials] master: Change for constructing stills reflection predictors. (7bc7d43)

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Thu, 21 Apr 2016 14:18:38 -0700

139 lines

[git/dials] master: Sync with recent changes (05e1e05)

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Thu, 21 Apr 2016 10:16:24 -0700

115 lines

[git/dials] master: New Refiner parameter spherical_relp_model=True switches on use of the reflection predictor and its parameterisation for the spherical relp model in stills refinement (does nothing for scans). (89a22e6)

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Thu, 21 Apr 2016 14:47:30 +0100

236 lines

[git/dials] master: bug fix (1a4c63d)

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Thu, 21 Apr 2016 14:46:30 +0100

78 lines

[git/dials] master: Test both the standard StillsPredictionParameterisation and the new spherical relp version. The analytical derivative calculations for dX/dp and dY/dp are much better in the new version. DeltaPsi derivatives are the same as before (and not that good). (b5186d5)

DIALS Commit via DLS Jenkins

Thu, 21 Apr 2016 14:14:05 +0100

482 lines

[git/dials] master: Test both the standard StillsPredictionParameterisation and the new spherical relp version. The analytical derivative calculations for dX/dp and dY/dp are much better in the new version. DeltaPsi derivatives are the same as before (and not that good). (b5186d5)

DIALS Commit via DLS Jenkins

Thu, 21 Apr 2016 14:14:05 +0100

482 lines

[git/dials] master: PredictionParameterisation class for stills with spherical relp assumption (ab17ba2)

DIALS Commit via DLS Jenkins

Thu, 21 Apr 2016 14:14:04 +0100

1088 lines

[git/dials] master: Fixes (b7e50f8)

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Thu, 21 Apr 2016 14:14:04 +0100

202 lines

[git/dials] master: Provide access to SphericalRelpStillsReflectionPredictor within ExperimentsPredictor (52cb58b)

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Thu, 21 Apr 2016 14:14:04 +0100

127 lines

[git/dials] master: start refactoring this test to make it easier to apply also to the new model (191ec2b)

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Thu, 21 Apr 2016 14:14:04 +0100

1132 lines

[git/dials] master: PredictionParameterisation class for stills with spherical relp assumption (ab17ba2)

DIALS Commit via DLS Jenkins

Thu, 21 Apr 2016 14:14:04 +0100

1088 lines

[git/dials] master: Fixes (b7e50f8)

DIALS Commit via DLS Jenkins

Thu, 21 Apr 2016 14:14:04 +0100

202 lines

[git/dials] master: Provide access to SphericalRelpStillsReflectionPredictor within ExperimentsPredictor (52cb58b)

DIALS Commit via DLS Jenkins

Thu, 21 Apr 2016 14:14:04 +0100

127 lines

[git/dials] master: start refactoring this test to make it easier to apply also to the new model (191ec2b)

DIALS Commit via DLS Jenkins

Thu, 21 Apr 2016 14:14:04 +0100

1132 lines

[git/dials] master: Added some extra checks for file existance (9521492)

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Thu, 21 Apr 2016 11:01:58 +0100

144 lines

[git/dials] master: Add some excetion messages in dials.import. Fixes #43 (cd27f45)

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Thu, 21 Apr 2016 10:55:21 +0100

109 lines

[git/dials] master: Added check for dials_regression. Fixes #115. (0d17bfc)

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Thu, 21 Apr 2016 09:54:35 +0100

104 lines

[git/dials] master: ignore pytest cache directory (a1b107f)

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Thu, 21 Apr 2016 09:52:42 +0100

62 lines

[git/dials] master: Update test (4d58ec1)

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Thu, 21 Apr 2016 09:46:50 +0100

81 lines

[git/dials] master: Join streamreader thread when the output of the program is not read in fast enough after termination. (2046159)

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Thu, 21 Apr 2016 09:28:14 +0100

159 lines

[git/dials] master: Added a command line program to combine found spots. Fixes #115 (6ea7864)

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Wed, 20 Apr 2016 17:59:54 +0100

1557 lines

[git/dials_scratch] master: Crystal unit cell derivatives d[s1]/dp are also all correct. This completes the required tests because d[s1]/dp for any detector parameter is always (0, 0, 0)^T (890ccb5)

DIALS Scratch Commit via DLS Jenkins

Wed, 20 Apr 2016 16:16:21 +0100

193 lines

[git/dials_scratch] master: Crystal orientation derivatives of s1 are also all correct (750bdd1)

DIALS Scratch Commit via DLS Jenkins

Wed, 20 Apr 2016 16:11:01 +0100

219 lines

[git/dials_scratch] master: Test derivatives in stills_prediction_nave3.pdf. So far only d[s1]/dp for beam parameterisation derivatives is tested. These are all correct. (a51c658)

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Wed, 20 Apr 2016 15:14:52 +0100

695 lines

[git/dials] master: only display timeout debug information when timeout functionality is used (43815e8)

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Wed, 20 Apr 2016 08:58:50 +0100

94 lines

[git/dials] master: DOn't create resolution masker until required. (cbd22e6)

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Mon, 18 Apr 2016 17:30:58 +0100

175 lines

[git/dials] master: slightly more interesting test using formula in stills_prediction_nave3.pdf (71bc49e)

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Mon, 18 Apr 2016 16:32:27 +0100

121 lines

[git/dials] master: SphericalRelpStillsReflectionPredictor - stills predictor assuming a spherical relp model and not rotating q to the Ewald sphere. DeltaPsi is still calculated though, to be used as a restraint. (7f74d42)

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Mon, 18 Apr 2016 16:05:43 +0100

398 lines

[git/dials] master: basic test of the SphericalRelpStillsReflectionPredictor (f835397)

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Mon, 18 Apr 2016 16:05:43 +0100

135 lines

[git/dials] master: ugly override to force factory function to produce a spherical relp type of stills predictor. Ultimately we need a cleaner way to try out new algorithms like this (perhaps like the plugin system) with choice dictated by the presence of different types of profile model (5bbd8ad)

DIALS Commit via DLS Jenkins

Mon, 18 Apr 2016 16:05:43 +0100

157 lines

[git/dials] master: SphericalRelpStillsRayPredictor: version of StillsRayPredictor for the 'Nave 3' model in which relps are spherical (7eaeb9a)

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Mon, 18 Apr 2016 16:05:43 +0100

232 lines

[git/dials] master: Fix up values in loops when merging images. (aa1387c)

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Mon, 18 Apr 2016 11:41:01 +0100

159 lines

[git/dials] master: fix up further CBF fields in dials.merge (0ce72f7)

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Mon, 18 Apr 2016 10:59:50 +0100

104 lines

[git/dials] master: also compare minimum cells (e79b2a8)

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Fri, 15 Apr 2016 13:15:08 +0100

163 lines

[git/dials] master: fix comment. init.sh is no more. (f45b83e)

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Fri, 15 Apr 2016 13:09:55 +0100

72 lines

[git/dials] master: move to dials_scratch for now (d2bb469)

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Fri, 15 Apr 2016 12:32:48 +0100

791 lines

[git/dials_scratch] master: moved toy utility from dials until it can be improved (d09bac7)

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Fri, 15 Apr 2016 12:32:12 +0100

791 lines

[git/dials] master: update links (d5b56be)

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Thu, 14 Apr 2016 13:26:22 +0100

145 lines

[git/dials] master: fix tutorial text so it matches what is actually done by dev.dials.generate_tutorial_text (aa8b02e)

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Thu, 14 Apr 2016 10:47:57 +0100

84 lines

[git/dials] master: Add similar radius filter as suggested by Andrew Leslie. Effectively limits the search within a certain radius of the initial beam centre, but improves specificity for real Bijvoet mates (f63c65d)

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Thu, 14 Apr 2016 10:01:27 +0100

360 lines

[git/dials] master: Use refactored function call so Eigen matrix dimensions can be reported to the log file. (e9b05e5)

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Wed, 13 Apr 2016 15:45:13 -0700

75 lines

[git/dials] master: remove discover_better_experimental_model option from dials.index (ad638b2)

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Wed, 13 Apr 2016 14:54:19 +0100

157 lines

[git/dials] master: dials.discover_better_experimental_model: new max_reflections=10000 parameter, use random subset of reflections in analysis for speed (bd64ad2)

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Wed, 13 Apr 2016 14:42:45 +0100

411 lines

[git/dials] master: add .size() method to flex reflection table (9d432f5)

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Wed, 13 Apr 2016 10:21:35 +0100

104 lines

[git/dials_scratch] master: Use degrees instead of radians for 2theta plots. Bugfix for uc histogram ranges. (fa7ead1)

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Tue, 12 Apr 2016 16:26:06 -0700

220 lines

[git/dials] master: uncommenting two tests in reflection viewer (5d01dda)

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Tue, 12 Apr 2016 14:16:18 +0100

74 lines

[git/dials] master: sigma_cell= fractional photon to photon change in the unit cell (i.e. unit cell in different crystallites) also Gaussian (7ea66e0)

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Tue, 12 Apr 2016 03:23:14 +0100

129 lines

[git/dials] master: Allow per-photon change of wavelength: sigma_l=0.01 would be Gaussian with 1% width (5d8529d)

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Tue, 12 Apr 2016 03:16:20 +0100

122 lines

[git/dials] master: Merge branch 'master' of github.com:dials/dials (0fd4457)

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Mon, 11 Apr 2016 10:50:19 +0100

52 lines

[git/dials] master: Fixed test with mu (b02bca7)

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Mon, 11 Apr 2016 10:50:01 +0100

70 lines

[git/dials] master: mu now in mm^-1 instead of cm^-1 (e952689)

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Mon, 11 Apr 2016 10:23:10 +0100

76 lines

[git/dials] master: Avoid future confusion by updating comment (dbb705c)

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Mon, 11 Apr 2016 10:18:48 +0100

76 lines

[git/dials] master: Removed factor of 0.1 in DQE because thickness is is mm and attentuation length is in mm-1 rather than cm-1 so t * mu does not need factor of 0.1. (638c4d0)

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Mon, 11 Apr 2016 09:51:47 +0100

80 lines

[git/dials] master: input degrees, like output of dials.integrate, but use radians in calculation (844ba88)

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Mon, 11 Apr 2016 08:39:59 +0100

91 lines

[git/dials] master: Accumulate mean result; in case of rt0 is profile cc; other usages could be applied (ba4e8b7)

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Mon, 11 Apr 2016 08:32:25 +0100

183 lines

[git/dials] master: update download links (a83904e)

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Mon, 11 Apr 2016 08:00:33 +0100

150 lines

[git/dials] master: reduce compiler optimization level for problematic extension when compiled with latest XCode 7.3 (d99c409)

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Fri, 8 Apr 2016 17:31:01 +0100

150 lines

[git/dials] master: Move stable release downloads to github - there they won't expire. Reduce number of section headers (0cd3947)

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Fri, 8 Apr 2016 10:12:09 +0100

203 lines

[git/dials] master: Set the sigma_m, sigma_b parameters (b3b0370)

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Thu, 7 Apr 2016 20:17:50 +0100

113 lines

[git/dials] master: Allow random selection; set seed to reproduce; set number of random you want -> optimise profile params; usage = dev.dials.duelling_profiles integrated_experiments.json integrated_shoeboxes.pickle.gz method=rt0 min_isum=100 num=20 physics=true debug=true show=true seed=42 (b5feff1)

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Thu, 7 Apr 2016 20:17:50 +0100

167 lines

[git/dials_scratch] master: Auto scale UC histograms to show 4x standard deviations. (d1ee6d5)

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Thu, 7 Apr 2016 09:53:43 -0700

121 lines

[git/dials] master: use approx_equal in test (aa757fc)

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Thu, 7 Apr 2016 16:43:21 +0100

117 lines

[git/dials_scratch] master: Add histogram and boxplot of per-image RMSDs (a230f83)

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Wed, 6 Apr 2016 20:31:40 -0700

140 lines

[git/dials] master: Handle n_macro_cycles=1 (avoid divide by zero). (a273794)

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Wed, 6 Apr 2016 15:54:25 -0700

93 lines

[git/dials] master: Bugfix (866acfe)

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Wed, 6 Apr 2016 15:38:19 -0700

77 lines

[git/dials_scratch] master: Bugfixes regarding too few reflections. (44fc3cc)

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Wed, 6 Apr 2016 11:36:18 -0700

230 lines

[git/dials] master: Add refinement parameter include_unused_reflections. (f3accb6)

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Tue, 5 Apr 2016 22:41:49 -0700

212 lines

[git/dials] master: missed another typo on the same line! (c117380)

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Tue, 5 Apr 2016 16:03:41 +0100

75 lines

[git/dials] master: fix typo (397a3dc)

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Tue, 5 Apr 2016 15:57:07 +0100

74 lines

[git/dials] master: Proof of concept for an algorithm to search for the beam centre (assuming a single flat panel detector) using the intersection of lines bisecting vectors joining supposed symmetry-related pairs of reflections in detector space. (f3b168a)

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Tue, 5 Apr 2016 15:57:07 +0100

763 lines

[git/dials] master: ensure that the colour scale is equally centred around zero, i.e. zero is the same colour on all plots (2f6d267)

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Tue, 5 Apr 2016 15:50:05 +0100

87 lines

[git/dials] master: bug fix (d1ba804)

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Tue, 5 Apr 2016 13:11:24 +0100

103 lines

[git/dials] master: add ping option to dials.find_spots_client (bdf63f8)

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Tue, 5 Apr 2016 13:08:18 +0100

93 lines

[git/dials] master: Don't convert a sparse Jacobian to dense during correlation calculation. Convert only two columns at a time to use flex.linear_correlation (ee5308e)

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Sun, 3 Apr 2016 16:40:27 +0100

139 lines

[git/dials_scratch] master: Add option to exclude outliers. Add plot_difference_vector_norms_histograms. (bbb9d19)

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Fri, 1 Apr 2016 20:08:19 -0700

217 lines

[git/dials_scratch] master: Bugfixes for detector_residuals (732ee06)

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Fri, 1 Apr 2016 12:38:23 -0700

329 lines

[git/dials] master: use procrunner to generate tutorial text (avoids timeout in Jenkins) (7042805)

DIALS Commit via DLS Jenkins

Fri, 1 Apr 2016 13:46:30 +0100

75 lines

[git/dials] master: Work with fixed dqe (a83fc25)

DIALS Commit via DLS Jenkins

Fri, 1 Apr 2016 08:02:43 +0100

99 lines

[git/dials] master: temp fix while resolving DQE issue; need data processed with update 24140 of FormatCBFFullPilatus.py (ce56d72)

DIALS Commit via DLS Jenkins

Fri, 1 Apr 2016 07:20:30 +0100

90 lines

[git/dials] master: If physics; account for DQE FIXME *** DQE very wrong in this example *** (8b49e76)

DIALS Commit via DLS Jenkins

Fri, 1 Apr 2016 06:56:57 +0100

91 lines

[git/dials] master: Rough implementation of actual detector physics i.e. general impact of photon not just offset; seems to improve CC of reflection profile in example 29 from 0.9 to 0.96... (6b4c77e)

DIALS Commit via DLS Jenkins

Fri, 1 Apr 2016 06:56:57 +0100

463 lines

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