From 0e48c77bb04daf4c5dc5d71a74262404edfc049e Mon Sep 17 00:00:00 2001 From: Thomas White Date: Mon, 22 Jun 2020 11:59:42 +0200 Subject: This is CrystFEL 0.9.1 --- CMakeLists.txt | 4 +-- ChangeLog | 18 +++++++++++ announcement-0.9.1 | 39 +++++++++++++++++++++++ relnotes-0.9.1 | 90 ++++++++++++++++++++++++++++++++++++++++++++++++++++++ 4 files changed, 149 insertions(+), 2 deletions(-) create mode 100644 announcement-0.9.1 create mode 100644 relnotes-0.9.1 diff --git a/CMakeLists.txt b/CMakeLists.txt index 4b21e094..d51d5dc6 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -1,7 +1,7 @@ cmake_minimum_required(VERSION 3.6) -set(CRYSTFEL_SHORT_VERSION 0.9.0) +set(CRYSTFEL_SHORT_VERSION 0.9.1) set(CRYSTFEL_VERSION ${CRYSTFEL_SHORT_VERSION}) -set(CRYSTFEL_API_VERSION 12) +set(CRYSTFEL_API_VERSION 13) project(crystfel VERSION ${CRYSTFEL_VERSION} LANGUAGES C) cmake_policy(SET CMP0074 NEW) diff --git a/ChangeLog b/ChangeLog index f67ecec8..df937a28 100644 --- a/ChangeLog +++ b/ChangeLog @@ -1,3 +1,21 @@ +CrystFEL version 0.9.1, 22nd June 2020 +------------------------------------- + +- indexamajig: Fixed default unit cell tolerance (was 1.5 rad, now 1.5 deg) +- Fixed bug in unit cell reduction/comparison +- Improved the sigma estimate for very weak reflections +- Fixed bug when indexing with rhombohedral R cells +- indexamajig: Added --pinkIndexer-max-refinement-disbalance +- Fixed two problems when reading metadata values from HDF5 +- partialator: Gracefully handle negative and NaN sigma values +- scripts/transfer-geom: Now only writes coffset for panels which had + coffset values before +- Fixed/improved pinkIndexer documentation and error messages +- Fixed build with zlib < 1.2.3.5 (missing gzbuffer routine) +- Fixed build with HDF5 >= 1.12 +- scripts/mtz2hkl, cif2hkl, hkl2hkl: Added missing header + + CrystFEL version 0.9.0, 6th February 2020 ----------------------------------------- diff --git a/announcement-0.9.1 b/announcement-0.9.1 new file mode 100644 index 00000000..6ddda6cb --- /dev/null +++ b/announcement-0.9.1 @@ -0,0 +1,39 @@ +Dear CrystFEL users and interested crystallographers, + +CrystFEL version 0.9.1 has been released! + +This is a maintenance and bug-fixing release which fixes a few problems which +crept into version 0.9.0. The most important fixes are: + +1. The unit cell comparision function, which was completely re-written for + CrystFEL 0.9.0, was updated to fix a mis-indexing problem with certain + types of unit cell. This may increase indexing rate or fix wrong output + cells in those cases. + +2. The default unit cell angle tolerance, which was accidentally set to + 1.5 radians in CrystFEL 0.9.0 as a result of the above changes, + was re-set to 1.5 degrees. + +3. Build compatability was added with very new HDF5 versions (>= 1.12) and + older versions of zlib (< 1.2.3.5). + +See the release notes and the ChangeLog for full details of the other +improvements. + +Release notes for version 0.9.1: +https://www.desy.de/~twhite/crystfel/relnotes-0.9.1 + +Change log: +https://www.desy.de/~twhite/crystfel/changes.html + +Thanks for all of your past and future feedback and contributions, and +your continued use of CrystFEL. As ever, please contact me directly if +you would prefer to be unsubscribed from this mailing list. + +CrystFEL website: +https://www.desy.de/~twhite/crystfel + +CrystFEL tutorial: +https://www.desy.de/~twhite/crystfel/tutorial + +Tom diff --git a/relnotes-0.9.1 b/relnotes-0.9.1 new file mode 100644 index 00000000..2d451cf0 --- /dev/null +++ b/relnotes-0.9.1 @@ -0,0 +1,90 @@ +CrystFEL - Data processing for serial crystallography +----------------------------------------------------- + +Release notes for version 0.9.1 + +Copyright © 2012-2020 Deutsches Elektronen-Synchrotron DESY, + a research centre of the Helmholtz Association. + +Authors: + Thomas White + Richard Kirian + Kenneth Beyerlein + Andrew Aquila + Andrew Martin + Lorenzo Galli + Chun Hong Yoon + Karol Nass + Nadia Zatsepin + Anton Barty + Cornelius Gati + Fedor Chervinskii + Alexandra Tolstikova + Wolfgang Brehm + Valerio Mariani + Parker de Waal + Takanori Nakane + Keitaro Yamashita + Oleksandr Yefanov + Steve Aplin + Helen Ginn + Thomas Grant + Mamoru Suzuki + Nicolas Riebesel + Yaroslav Gevorkov + Omri Mor + +CrystFEL is free software: you can redistribute it and/or modify it under the +terms of the GNU General Public License as published by the Free Software +Foundation, either version 3 of the License, or (at your option) any later +version. + +CrystFEL is distributed in the hope that it will be useful, but WITHOUT ANY +WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A +PARTICULAR PURPOSE. See the GNU General Public License for more details. + +You should have received a copy of the GNU General Public License along with +CrystFEL. If not, see . + + +Overview +-------- + +This is a maintenance and bug-fixing release which fixes a few issues which +crept into CrystFEL 0.9.0. Here are the detils, in roughly decreasing +order of importance: + +1. The unit cell comparision function, which was completely re-written for + CrystFEL 0.9.0, was updated to fix a mis-indexing problem with certain + types of unit cell. This may increase indexing rate or fix wrong output + cells in those cases. + +2. The default unit cell angle tolerance, which was accidentally set to + 1.5 radians in CrystFEL 0.9.0, was re-set to 1.5 degrees. + +3. Build compatability was added with very new HDF5 versions (>= 1.12) and + older versions of zlib (< 1.2.3.5). + +4. A problem was fixed in indexamajig when reading metadata from certain + HDF5 structures (arrays of fixed length strings). + +5. The sigma(I) estimates for very weakly negative (unmerged) reflections + were improved. + +6. PinkIndexer logic fixes and documentation improvements, and addition of + "--pinkIndexer-max-refinement-disbalance" option to indexamajig. + +7. General documentation improvements. + +For your convenience, the announcement and release notes for the previous +version (CrystFEL 0.9.0) have been included with version 0.9.1. If you're +upgrading from CrystFEL 0.8.0, you should check those files as well. +As always, you can find more details in the "ChangeLog" or the changes page +on the CrystFEL website. + + +API changes +----------- + +"maxRefinementDisbalance" was added to "struct pinkIndexer_options". +No other API changes. -- cgit v1.2.3