PowderLine/CITATION.cff at main · NSLS2/PowderLine · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
cff-version: 1.2.0
message: "If you use PowderLine in your research, please cite it as below."
title: "PowderLine"
type: software
# Software authors (contributors to this codebase). The associated preprint has a
# broader author list — see preferred-citation below.
authors:
  - family-names: "Corrao"
    given-names: "Adam A."
    affiliation: "Brookhaven National Laboratory"
  - family-names: "Caswell"
    given-names: "Thomas A."
    affiliation: "Brookhaven National Laboratory"
  - family-names: "Olds"
    given-names: "Daniel"
    affiliation: "Brookhaven National Laboratory"
license: BSD-3-Clause
repository-code: "https://github.com/NSLS2/PowderLine"
version: 0.1.2
identifiers:
  - type: doi
    value: "10.48550/arXiv.2608.17009"
    description: "PowderLine preprint (arXiv:2608.17009)"
preferred-citation:
  type: article
  title: "PowderLine: a programmatic powder diffraction analysis application"
  year: 2026
  authors:
    - family-names: "Corrao"
      given-names: "Adam A."
    - family-names: "Perez"
      given-names: "Jennifer A."
    - family-names: "Langhout"
      given-names: "John D."
    - family-names: "Butala"
      given-names: "Megan M."
    - family-names: "Caswell"
      given-names: "Thomas A."
    - family-names: "Olds"
      given-names: "Daniel"
  identifiers:
    - type: doi
      value: "10.48550/arXiv.2608.17009"
      description: "arXiv preprint"
# Refinement engines PowderLine drives. Please cite the engine you used in
# addition to PowderLine (see the "Citation" section of README.md).
references:
  - type: article
    title: "GSAS-II: the genesis of a modern open-source all purpose crystallography software package"
    authors:
      - family-names: "Toby"
        given-names: "Brian H."
      - family-names: "Von Dreele"
        given-names: "Robert B."
    journal: "Journal of Applied Crystallography"
    volume: 46
    start: 544
    end: 549
    year: 2013
    doi: "10.1107/S0021889813003531"
  - type: article
    title: "A scripting interface for GSAS-II"
    authors:
      - family-names: "O'Donnell"
        given-names: "Jackson H."
      - family-names: "Von Dreele"
        given-names: "Robert B."
      - family-names: "Chan"
        given-names: "Maria K. Y."
      - family-names: "Toby"
        given-names: "Brian H."
    journal: "Journal of Applied Crystallography"
    volume: 51
    start: 1244
    end: 1250
    year: 2018
    doi: "10.1107/S1600576718008075"
  - type: article
    title: "TOPAS and TOPAS-Academic: an optimization program integrating computer algebra and crystallographic objects written in C++"
    authors:
      - family-names: "Coelho"
        given-names: "Alan A."
    journal: "Journal of Applied Crystallography"
    volume: 51
    start: 210
    end: 218
    year: 2018
    doi: "10.1107/S1600576718000183"
  - type: software
    title: "easydiffraction"
    version: "0.20.1"
    authors:
      - family-names: "Sazonov"
        given-names: "Andrew"
      - family-names: "Lindgren"
        given-names: "Eric"
      - family-names: "Rozyczko"
        given-names: "Piotr"
      - family-names: "Seth"
        given-names: "Mridul"
    year: 2026
    doi: "10.5281/zenodo.21999827"
    repository-code: "https://github.com/easyscience/diffraction-lib"