diff options
| -rw-r--r-- | README | 8 | ||||
| -rw-r--r-- | doc/symmetry.txt | 3 |
2 files changed, 7 insertions, 4 deletions
@@ -36,13 +36,14 @@ above characteristics. The main programs are: - process_hkl, for merging per-pattern lists of intensities into a single reflection list. - - facetron, for merging patterns more accurately (and much more slowly) - using post refinement. + - partialator, for merging patterns more accurately (and much more + slowly) using post refinement. - reintegrate, which is like "indexamajig" but without the indexing step, instead getting the orientation matrix from the output of a previous run of either "indexamajig" or "reintegrate". + In addition, there is also: - get_hkl, for generating a list of squared structure factors for @@ -72,6 +73,7 @@ And, because I'm so nice, included at no extra cost is: - hdfsee, a simple viewer for images stored in HDF5 format. +There is also a big folder of scripts for achieving many related tasks. CrystFEL mostly works with images stored in HDF5 format, unit cell and atomic coordinate data in PDB format, and reflection lists in plain text format (i.e. @@ -124,7 +126,7 @@ In most cases, it will be more appropriate to refer to the overall suite than to one of its constituent programs. The following are NOT acceptable forms: "CRYSTFEL", "crystFEL", "Crystfel", -"INDEXAMAJIG", "PATTERN_SIM", "Pattern_Sim" and "Pattern_sim". +"INDEXAMAJIG" and "PATTERN_SIM". In addition, CrystFEL is made up of "programs", not "routines" nor "procedures". (The "programs" in turn are made up from "routines" and "procedures", but unless diff --git a/doc/symmetry.txt b/doc/symmetry.txt index d29ea137..c190f8ee 100644 --- a/doc/symmetry.txt +++ b/doc/symmetry.txt @@ -6,7 +6,8 @@ Most programs in CrystFEL understand point group symmetry. The exception is the "-y" option to the programs. Please read doc/process_hkl for important information on how symmetry is used -during the indexing and merging procedures. +during the indexing and merging procedures. It's important to understand how +this works before, for example, trying to merge a dataset. Symmetry definitions are included in src/symmetry.c. Point group definitions are required for merging and the display of merged results, but space groups are |