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authorThomas White <taw@physics.org>2010-02-24 12:12:48 +0100
committerThomas White <taw@physics.org>2010-02-24 12:12:48 +0100
commitaeb7b470605fa1b0beb317fb003bddf83d1a3b04 (patch)
treeae8c3ef3658a30d0b73fa9400e2857fd2defb310
parent4cae1180965b83cfabb1e603bd64245f73b43067 (diff)
Write some README
-rw-r--r--AUTHORS1
-rw-r--r--ChangeLog1
-rw-r--r--NEWS1
-rw-r--r--README43
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+Thomas White <taw@physics.org>, CFEL, DESY
diff --git a/ChangeLog b/ChangeLog
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+There is no ChangeLog. Check the version control repository...
diff --git a/NEWS b/NEWS
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+There is no NEWS. Check the version control repository...
diff --git a/README b/README
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+CrystFEL - Crystallography with a FEL
+-------------------------------------
+
+Thomas White <taw@physics.org>, CFEL, DESY
+
+CrystFEL is a suite of programs for simulating and processing crystallographic
+(Bragg diffraction) data acquired with a free electron laser. The particular
+characteristics of such data which call for a specialised software suite are
+
+- The sliced, rather than integrated, measurement of intensity data. Many, if
+ not all reflections are partially integrated. Unique correction factors are
+ needed.
+
+- The crystals are small, leading to significant Fourier truncation effects on
+ the detector.
+
+- Many patterns (>10,000) are required - high throughput is needed.
+
+
+The main programs are:
+
+ - pattern_sim, for simulating patterns.
+
+ - indexamajig, for finding hits, locating peaks, indexing patterns
+ and constructing lists of h,k,l,I,sigma(I) for each
+ pattern.
+
+ - process_hkl, for merging per-pattern lists of intensities into a
+ single reflection list.
+
+ - hdfsee, a simple HDF5 image viewer.
+
+In addition, there is also:
+
+ - get_hkl, for generating a list of squared structure factors for
+ comparison to simulated or experimental data.
+
+ - powder_plot, for turning an image into a list of reciprocal space
+ vector moduli and intensities (i.e. a powder diffraction
+ trace).
+
+ - compare_hkl, for working out the differences (e.g. a q-dependent
+ scaling factor) between two lists of reflections.