chore: fix long description in readme and license info

Author: stevenhua0320

README.rst

@@ -36,18 +36,54 @@
 .. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
         :target: https://github.com/diffpy/diffpy.srmise/issues
 
-Peak extraction and peak fitting tool for atomic pair distribution functions.
-
-* LONGER DESCRIPTION HERE
+Implementation of the ParSCAPE algorithm for peak extraction from atomic pair distribution functions (PDFs)
+
+SrMise is an implementation of the `ParSCAPE algorithm
+<https://dx.doi.org/10.1107/S2053273315005276>`_ for peak extraction from
+atomic pair distribution functions (PDFs).  It is designed to function even
+when *a priori* knowledge of the physical sample is limited, utilizing the
+Akaike Information Criterion (AIC) to estimate whether peaks are
+statistically justified relative to alternate models.  Three basic use cases
+are anticipated for SrMise.  The first is peak fitting a user-supplied
+collections of peaks.  The second is peak extraction from a PDF with no (or
+only partial) user-supplied peaks.  The third is an AIC-driven multimodeling
+analysis where the output of multiple SrMise trials are ranked.
+
+The framework for peak extraction defines peak-like clusters within the data,
+extracts a single peak within each cluster, and iteratively combines nearby
+clusters while performing a recursive search on the residual to identify
+occluded peaks.  Eventually this results in a single global cluster
+containing many peaks fit over all the data.  Over- and underfitting are
+discouraged by use of the AIC when adding or, during a pruning step, removing
+peaks.  Termination effects, which can lead to physically spurious peaks in
+the PDF, are incorporated in the mathematical peak model and the pruning step
+attempts to remove peaks which are fit better as termination ripples due to
+another peak.
+
+Where possible, SrMise provides physically reasonable default values
+for extraction parameters.  However, the PDF baseline should be estimated by
+the user before extraction, or by performing provisional peak extraction with
+varying baseline parameters.  The package defines a linear (crystalline)
+baseline, arbitrary polynomial baseline, a spherical nanoparticle baseline,
+and an arbitrary baseline interpolated from a list of user-supplied values.
+In addition, PDFs with accurate experimentally-determined uncertainties are
+necessary to provide the most reliable results, but historically such PDFs
+are rare.  In the absence of accurate uncertainties an *ad hoc* uncertainty
+must be specified.
 
 For more information about the diffpy.srmise library, please consult our `online documentation <https://diffpy.github.io/diffpy.srmise>`_.
 
 Citation
 --------
 
-If you use diffpy.srmise in a scientific publication, we would like you to cite this package as
+If you use this program for a scientific research that leads
+to publication, we ask that you acknowledge use of the program
+by citing the following paper in your publication:
 
-        diffpy.srmise Package, https://github.com/diffpy/diffpy.srmise
+   L. Granlund, S. J. L. Billinge and P. M. Duxbury,
+   `Algorithm for systematic peak extraction from atomic pair distribution functions
+   <http://dx.doi.org/10.1107/S2053273315005276>`__,
+   *Acta Crystallogr. A* **4**, 392-409 (2015).
 
 Installation
 ------------

docs/source/license.rst

@@ -9,8 +9,25 @@ OPEN SOURCE LICENSE AGREEMENT
 =============================
 BSD 3-Clause License
 
-Copyright (c) 2026, The Trustees of Columbia University in the City of New York.
-All Rights Reserved.
+Copyright 2014-2015, Board of Trustees of Michigan State University
+
+Copyright 2016-2026, The Trustees of Columbia University in the City of New York.
+
+All rights reserved.
+
+If you use this program to do productive scientific research that
+leads to publication, we ask that you acknowledge use of the
+program by citing the following paper in your publication:
+
+    L. Granlund, S.J.L. Billinge, P.M. Duxbury, Algorithm for
+    systematic peak extraction from atomic pair distribution
+    functions, Acta Crystallographica A 71(4), 392-409 (2015).
+    doi:10.1107/S2053273315005276
+
+For more information please visit the diffpy web-page at
+    http://www.diffpy.org
+or email Luke Granlund at luke.r.granlund@gmail.com, or Prof. Simon
+Billinge at sb2896@columbia.edu.
 
 Redistribution and use in source and binary forms, with or without
 modification, are permitted provided that the following conditions are met: