Commit 0e48c77b authored by Thomas White's avatar Thomas White
Browse files

This is CrystFEL 0.9.1

parent 5ae3043d
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)
......
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
-----------------------------------------
......
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
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 <taw@physics.org>
Richard Kirian <rkirian@asu.edu>
Kenneth Beyerlein <kenneth.beyerlein@desy.de>
Andrew Aquila <andrew.aquila@cfel.de>
Andrew Martin <andrew.martin@desy.de>
Lorenzo Galli <lorenzo.galli@desy.de>
Chun Hong Yoon <chun.hong.yoon@desy.de>
Karol Nass <karol.nass@desy.de>
Nadia Zatsepin <nadia.zatsepin@asu.edu>
Anton Barty <anton.barty@desy.de>
Cornelius Gati <cornelius.gati@desy.de>
Fedor Chervinskii <fedor.chervinskii@gmail.com>
Alexandra Tolstikova <alexandra.tolstikova@desy.de>
Wolfgang Brehm <wolfgang.brehm@gmail.com>
Valerio Mariani <valerio.mariani@desy.de>
Parker de Waal <Parker.deWaal@vai.org>
Takanori Nakane <nakane.t@gmail.com>
Keitaro Yamashita <k.yamashita@spring8.or.jp>
Oleksandr Yefanov <oleksandr.yefanov@cfel.de>
Steve Aplin <steve.aplin@desy.de>
Helen Ginn <helen@strubi.ox.ac.uk>
Thomas Grant <tgrant@hwi.buffalo.edu>
Mamoru Suzuki <mamoru.suzuki@protein.osaka-u.ac.jp>
Nicolas Riebesel <nicolas.riebesel@tuhh.de>
Yaroslav Gevorkov <yaroslav.gevorkov@desy.de>
Omri Mor <omor1@asu.edu>
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 <http://www.gnu.org/licenses/>.
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.
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