Tools for Nanoparticle Simulation and Calculation of PDF and Total Scattering Structure Function
Overview
This software package implements functions to simulate spherical, ellipsoid and cubic polyatomic nanoparticles with arbitrary crystal structures and to calculate the associated pair-distribution function and X-ray/neutron total-scattering signals. It also provides a target function that can be used for simultaneous fitting of small- and wide-angle total scattering data in real and reciprocal spaces. The target function can be generated either as a sum of weighted residuals for individual datasets or as a vector of residuals suitable for optimization using multi-criteria algorithms (e.g. Pareto methods).
Install
Health
CRAN check results are not tracked yet.
Documentation
- Help pages
- 12 (1 internal)
- Examples that run
- 100%11 run in a plain check
- Exported functions with examples
- 92%
- Documented parameters
- 87%
- Return-value docs
- 92%
- Help pages citing references
- 25%
Downloads
Dependencies
Code & Tests
Datasets
People & History
Maintainer since 2.0-1 (2013), previously Katharine Mullen (1.0 to 1.0-1)
Pick two releases to compare their code metrics.
- RR 4.3.0 released · 2023-04-21
- archivedRemoved from CRAN2022-12-05issues were not corrected despite reminders
- RR 4.2.0 released · 2022-04-22
- RR 4.1.0 released · 2021-05-18
- RR 4.0.0 released · 2020-04-24
- RR 3.6.0 released · 2019-04-26
- RR 3.5.0 released · 2018-04-23
- RR 3.4.0 released · 2017-04-21
- RR 3.3.0 released · 2016-05-03
- 2.0-62015-09-25 · diff ↗
- RR 3.2.0 released · 2015-04-16
- 2.0-52015-04-07 · diff ↗
- 2.0-42014-08-25 · diff ↗
- 2.0-32014-05-23 · diff ↗
- RR 3.1.0 released · 2014-04-10
- 2.0-2
Show 10 earlier eventsHide 10 earlier events
- 2.0-12013-08-19 · diff ↗ ·
removed 2 exports
calcRedTotalScatt, RSSLineadded 12 exports
termRip, gaussConvol, IqSAS, IqSASP, GrSAS, GrSASCS, plotPart, getSymEl, getScatterFactor, getScatterLength, createAtom, getBase - RR 3.0.0 released · 2013-04-03
- RR 2.15.0 released · 2012-03-30
- RR 2.14.0 released · 2011-10-31
- RR 2.13.0 released · 2011-04-13
- RR 2.12.0 released · 2010-10-15
- 1.0-12010-05-05 · diff ↗
- RR 2.11.0 released · 2010-04-22
- 1.02009-12-06
- RR 2.10.0 released · 2009-10-26
Package metadata
- First published
- 2009-12-06
- Total releases
- 8 / 17 yrs
- License
- GPL (>= 2) OSI
- Bundled data
- 18 KB / 1 file
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