References#

These are the works the Theory pages cite, by author and year.

[AS64]

M. Abramowitz and I. A. Stegun, editors. Handbook of Mathematical Functions. Applied Mathematics Series 55. National Bureau of Standards, Washington, 1964.

[ACG+95]

A. Altomare, G. Cascarano, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, M. C. Burla, and G. Polidori. On the number of statistically independent observations in a powder diffraction pattern. Journal of Applied Crystallography, 28:738–744, 1995. doi:10.1107/s0021889895005747.

[ACMR19]

A. Altomare, C. Cuocci, A. Moliterni, and R. Rizzi. Indexing a powder diffraction pattern. In International Tables for Crystallography Volume H: Powder Diffraction, chapter 3.4, pages 270–281. Wiley, 2019.

[And94]

Yu. G. Andreev. The use of the serial-correlations concept in the figure-of-merit function for powder diffraction profile fitting. Journal of Applied Crystallography, 27:288, 1994. doi:10.1107/s002188989300891x.

[ABS19a]

L. C. Andrews, H. J. Bernstein, and N. K. Sauter. A space for lattice representation and clustering. Acta Crystallographica Section A, 75:593–599, 2019. doi:10.1107/s2053273319002729.

[ABS19b]

L. C. Andrews, H. J. Bernstein, and N. K. Sauter. Selling reduction versus Niggli reduction for crystallographic lattices. Acta Crystallographica Section A, 75:115–120, 2019. doi:10.1107/s2053273318015413.

[Arm67]

B. H. Armstrong. Spectrum line profiles: the Voigt function. Journal of Quantitative Spectroscopy and Radiative Transfer, 7:61–88, 1967. doi:10.1016/0022-4073(67)90057-x.

[Aza55]

L. V. Azaroff. Polarization correction for crystal-monochromatized X-radiation. Acta Crystallographica, 8:701–704, 1955. doi:10.1107/s0365110x55002156.

[BPAC15]

S.-J. Baek, A. Park, Y.-J. Ahn, and J. Choo. Baseline correction using asymmetrically reweighted penalized least squares smoothing. Analyst, 140:250–257, 2015. doi:10.1039/c4an01061b.

[Bea67]

J. A. Bearden. X-ray wavelengths. Reviews of Modern Physics, 39:78–124, 1967. doi:10.1103/revmodphys.39.78.

[BLBSZ04]

J. Bergmann, A. Le Bail, R. Shirley, and V. Zlokazov. Renewed interest in powder diffraction data indexing. Zeitschrift für Kristallographie, 219:783–790, 2004. doi:10.1524/zkri.219.12.783.55873.

[Ber68]

E. F. Bertaut. Representation analysis of magnetic structures. Acta Crystallographica Section A, 24:217–231, 1968. doi:10.1107/s0567739468000306.

[BH88]

D. L. Bish and S. A. Howard. Quantitative phase analysis using the Rietveld method. Journal of Applied Crystallography, 21:86–91, 1988. doi:10.1107/s0021889887009415.

[BL91a]

A. Boultif and D. Louër. Indexing of powder diffraction patterns for low-symmetry lattices by the successive dichotomy method. Journal of Applied Crystallography, 24:987–993, 1991. doi:10.1107/s0021889891006441.

[BL04]

A. Boultif and D. Louër. Powder pattern indexing with the dichotomy method. Journal of Applied Crystallography, 37:724–731, 2004. doi:10.1107/s0021889804014876.

[BC72]

C. J. Bradley and A. P. Cracknell. The Mathematical Theory of Symmetry in Solids. Clarendon Press, Oxford, 1972.

[Bri45]

G. W. Brindley. The effect of grain or particle size on X-ray reflections from mixed powders and alloys. Philosophical Magazine, 36:347–369, 1945. doi:10.1080/14786444508520918.

[Bro04]

P. J. Brown. Magnetic form factors. In E. Prince, editor, International Tables for Crystallography Volume C: Mathematical, Physical and Chemical Tables, chapter 4.4.5. Kluwer Academic Publishers, Dordrecht, 2004.

[Bun82]

H. J. Bunge. Mathematical Aids. In Texture Analysis in Materials Science. Butterworths, London, 1982. doi:10.1016/b978-0-408-10642-9.50019-2.

[BL91b]

J.-F. Bérar and P. Lelann. E.s.d.'s and estimated probable error obtained in Rietveld refinements with local correlations. Journal of Applied Crystallography, 24:1–5, 1991. doi:10.1107/s0021889890008391.

[CPR58]

G. Caglioti, A. Paoletti, and F. P. Ricci. Choice of collimators for a crystal spectrometer for neutron diffraction. Nuclear Instruments, 3:223–228, 1958. doi:10.1016/0369-643x(58)90029-x.

[CSTH06]

B. J. Campbell, H. T. Stokes, D. E. Tanner, and D. M. Hatch. ISODISPLACE: a web-based tool for exploring structural distortions. Journal of Applied Crystallography, 39:607–614, 2006. doi:10.1107/s0021889806014075.

[Coe05]

A. A. Coelho. A bound constrained conjugate gradient solution method as applied to crystallographic refinement problems. Journal of Applied Crystallography, 38:455–461, 2005. doi:10.1107/s0021889805006096.

[Coe18a]

A. A. Coelho. Optimum Levenberg–Marquardt constant determination for nonlinear least-squares. Journal of Applied Crystallography, 51:428–435, 2018. doi:10.1107/s1600576718001784.

[Coe18b]

A. A. Coelho. TOPAS and TOPAS-Academic: an optimization program integrating computer algebra and crystallographic objects written in C++. Journal of Applied Crystallography, 51:210–218, 2018. doi:10.1107/s1600576718000183.

[CL70]

D. T. Cromer and D. Liberman. Relativistic calculation of anomalous scattering factors for X rays. Journal of Chemical Physics, 53:1891–1898, 1970. doi:10.1063/1.1674266.

[CL81]

D. T. Cromer and D. Liberman. Anomalous dispersion calculations near to and on the long-wavelength side of an absorption edge. Acta Crystallographica Section A, 37:267–268, 1981. doi:10.1107/s0567739481000600.

[Dav04]

W. I. F. David. Powder diffraction: least-squares and beyond. Journal of Research of the National Institute of Standards and Technology, 109:107–123, 2004. doi:10.6028/jres.109.008.

[dW68]

P. M. de Wolff. A simplified criterion for the reliability of a powder pattern indexing. Journal of Applied Crystallography, 1:108–113, 1968. doi:10.1107/s002188986800508x.

[DK85]

R. D. Deslattes and E. G. Kessler. Experimental evaluation of inner-vacancy level energies for comparison with theory. In B. Crasemann, editor, Atomic Inner-Shell Physics, chapter 5, pages 181. Plenum Press, New York, 1985.

[DKI+03]

R. D. Deslattes, E. G. Kessler, P. Indelicato, L. de Billy, E. Lindroth, and J. Anton. X-ray transition energies: new approach to a comprehensive evaluation. Reviews of Modern Physics, 75:35–99, 2003. doi:10.1103/revmodphys.75.35.

[Dol86]

W. A. Dollase. Correction of intensities for preferred orientation in powder diffractometry: application of the March model. Journal of Applied Crystallography, 19:267–272, 1986. doi:10.1107/s0021889886089458.

[DWC99]

C. Dong, F. Wu, and H. Chen. Correction of zero shift in powder diffraction patterns using the reflection-pair method. Journal of Applied Crystallography, 32:850–853, 1999. doi:10.1107/s0021889899007396.

[DW50]

J. Durbin and G. S. Watson. Testing for serial correlation in least squares regression. I. Biometrika, 37:409–428, 1950. doi:10.2307/2332391.

[Eil03]

P. H. C. Eilers. A perfect smoother. Analytical Chemistry, 75:3631–3636, 2003. doi:10.1021/ac034173t.

[EM96]

P. H. C. Eilers and B. D. Marx. Flexible smoothing with B-splines and penalties. Statistical Science, 11:89–121, 1996. doi:10.1214/ss/1038425655.

[FCJ94]

L. W. Finger, D. E. Cox, and A. P. Jephcoat. A correction for powder diffraction peak asymmetry due to axial divergence. Journal of Applied Crystallography, 27:892–900, 1994. doi:10.1107/s0021889894004218.

[FT88]

R. X. Fischer and E. Tillmanns. The equivalent isotropic displacement factor. Acta Crystallographica Section C, 44:775–776, 1988. doi:10.1107/s0108270187012745.

[FB81]

M. A. Fischler and R. C. Bolles. Random sample consensus: a paradigm for model fitting with applications to image analysis and automated cartography. Communications of the ACM, 24:381–395, 1981. doi:10.1145/358669.358692.

[FS88]

H. D. Flack and D. Schwarzenbach. On the use of least-squares restraints for origin fixing in polar space groups. Acta Crystallographica Section A, 44:499–506, 1988. doi:10.1107/s0108767388002697.

[FD79]

A. J. Freeman and J. P. Desclaux. Dirac-Fock studies of some electronic properties of rare-earth ions. Journal of Magnetism and Magnetic Materials, 12:11–21, 1979. doi:10.1016/0304-8853(79)90328-7.

[FW33]

R. Frisch and F. V. Waugh. Partial time regressions as compared with individual trends. Econometrica, 1:387–401, 1933. doi:10.2307/1907330.

[GTDLF+12]

S. V. Gallego, E. S. Tasci, G. De La Flor, J. M. Perez-Mato, and M. I. Aroyo. Magnetic symmetry in the Bilbao Crystallographic Server: a computer program to provide systematic absences of magnetic neutron diffraction. Journal of Applied Crystallography, 45:1236–1247, 2012. doi:10.1107/s0021889812042185.

[Gil56]

J. J. Gilvarry. The Lindemann and Grüneisen laws. Physical Review, 102:308–316, 1956. doi:10.1103/physrev.102.308.

[GKA02]

R. W. Grosse-Kunstleve and P. D. Adams. On the handling of atomic anisotropic displacement parameters. Journal of Applied Crystallography, 35:477–480, 2002. doi:10.1107/s0021889802008580.

[GKSA04]

R. W. Grosse-Kunstleve, N. K. Sauter, and P. D. Adams. Numerically stable algorithms for the computation of reduced unit cells. Acta Crystallographica Section A, 60:1–6, 2004. doi:10.1107/s010876730302186x.

[Hah02]

Th. Hahn, editor. International Tables for Crystallography, Volume A: Space-Group Symmetry. Kluwer Academic Publishers, Dordrecht, 2002.

[HJ39]

O. Halpern and M. H. Johnson. On the magnetic scattering of neutrons. Physical Review, 55:898–923, 1939. doi:10.1103/physrev.55.898.

[Ham65]

W. C. Hamilton. Significance tests on the crystallographic R factor. Acta Crystallographica, 18:502–510, 1965. doi:10.1107/s0365110x65001081.

[HTC84]

J. B. Hastings, W. Thomlinson, and D. E. Cox. Synchrotron X-ray powder diffraction. Journal of Applied Crystallography, 17:85–95, 1984. doi:10.1107/s0021889884011043.

[HS52]

M. R. Hestenes and E. Stiefel. Methods of conjugate gradients for solving linear systems. Journal of Research of the National Bureau of Standards, 49:409–436, 1952. doi:10.6028/jres.049.044.

[Hig02]

N. J. Higham. Accuracy and Stability of Numerical Algorithms. SIAM, Philadelphia, 2nd edition, 2002.

[HF87]

R. J. Hill and H. D. Flack. The use of the Durbin–Watson d statistic in Rietveld analysis. Journal of Applied Crystallography, 20:356–361, 1987. doi:10.1107/s0021889887086485.

[HH87]

R. J. Hill and C. J. Howard. Quantitative phase analysis from neutron powder diffraction data using the Rietveld method. Journal of Applied Crystallography, 20:467–474, 1987. doi:10.1107/s0021889887086199.

[Hof02]

D. W. M. Hofmann. Fast estimation of crystal densities. Acta Crystallographica Section B, 58:489–493, 2002. doi:10.1107/s0108768101021814.

[HS98]

C. J. Howard and H. T. Stokes. Group-theoretical analysis of octahedral tilting in perovskites. Acta Crystallographica Section B, 54:782–789, 1998. doi:10.1107/s0108768198004200.

[HS95]

J. H. Hubbell and S. M. Seltzer. Tables of X-ray mass attenuation coefficients and mass energy-absorption coefficients. Technical Report NISTIR 5632, National Institute of Standards and Technology, 1995.

[Hum82]

J. Humlíček. Optimized computation of the Voigt and complex probability functions. Journal of Quantitative Spectroscopy and Radiative Transfer, 27:437–444, 1982. doi:10.1016/0022-4073(82)90078-4.

[HFD+97]

G. Hölzer, M. Fritsch, M. Deutsch, J. Härtwig, and E. Förster. Kα₁,₂ and Kβ₁,₃ x-ray emission lines of the 3d transition metals. Physical Review A, 56:4554–4568, 1997. doi:10.1103/physreva.56.4554.

[INO91]

Yu. A. Izyumov, V. E. Naish, and R. P. Ozerov. Neutron Diffraction of Magnetic Materials. Consultants Bureau, New York, 1991.

[Jar93]

M. Järvinen. Application of symmetrized harmonics expansion to correction of the preferred orientation effect. Journal of Applied Crystallography, 26:525–531, 1993. doi:10.1107/s0021889893001219.

[KL72]

C. J. E. Kempster and H. Lipson. A rapid method of assessing the number of molecules in the unit cell of an organic crystal. Acta Crystallographica Section B, 28:3674, 1972. doi:10.1107/s056774087200857x.

[KP90]

L. Kissel and R. H. Pratt. Corrections to tabulated anomalous-scattering factors. Acta Crystallographica Section A, 46:170–175, 1990. doi:10.1107/s0108767389010718.

[KA74]

H. P. Klug and L. E. Alexander. X-ray Diffraction Procedures for Polycrystalline and Amorphous Materials. Wiley, New York, 2nd edition, 1974.

[KG76]

I. Křivý and B. Gruber. A unified algorithm for determining the reduced (Niggli) cell. Acta Crystallographica Section A, 32:297–298, 1976. doi:10.1107/s0567739476000636.

[LW78]

J. I. Langford and A. J. C. Wilson. Scherrer after sixty years: A survey and some new results in the determination of crystallite size. Journal of Applied Crystallography, 11:102–113, 1978. doi:10.1107/s0021889878012844.

[LVD04]

A. C. Larson and R. B. Von Dreele. General Structure Analysis System (GSAS). Technical Report LAUR 86-748, Los Alamos National Laboratory, 2004.

[LH74]

C. L. Lawson and R. J. Hanson. Solving Least Squares Problems. Prentice-Hall, Englewood Cliffs, NJ, 1974.

[LBDF88]

A. Le Bail, H. Duroy, and J. L. Fourquet. Ab-initio structure determination of LiSbWO₆ by X-ray powder diffraction. Materials Research Bulletin, 23:447–452, 1988. doi:10.1016/0025-5408(88)90019-0.

[LP82]

Y. Le Page. The derivation of the axes of the conventional unit cell from the dimensions of the Buerger-reduced cell. Journal of Applied Crystallography, 15:255–259, 1982. doi:10.1107/s0021889882011959.

[LM99]

C.-J. Lin and J. J. Moré. Newton's method for large bound-constrained optimization problems. SIAM Journal on Optimization, 9:1100–1127, 1999. doi:10.1137/s1052623498345075.

[LF71]

E. J. Lisher and J. B. Forsyth. Analytic Approximations to Form Factors. Acta Crystallographica Section A, 27:545–549, 1971. doi:10.1107/s0567739471001190.

[LL72]

D. Louër and M. Louër. Méthode d'essais et erreurs pour l'indexation automatique des diagrammes de poudre. Journal of Applied Crystallography, 5:271–275, 1972. doi:10.1107/s0021889872009483.

[Lov63]

M. C. Lovell. Seasonal adjustment of economic time series and multiple regression analysis. Journal of the American Statistical Association, 58:993–1010, 1963. doi:10.1080/01621459.1963.10480682.

[MSCL01]

I. C. Madsen, N. V. Y. Scarlett, L. M. D. Cranswick, and T. Lwin. Outcomes of the International Union of Crystallography Commission on Powder Diffraction round robin on quantitative phase analysis: samples 1a to 1h. Journal of Applied Crystallography, 34:409–426, 2001. doi:10.1107/s0021889801007476.

[Mar32]

A. March. Mathematische Theorie der Regelung nach der Korngestalt bei affiner Deformation. Zeitschrift für Kristallographie, 81:285–297, 1932. doi:10.1524/zkri.1932.81.1.285.

[MVDC+99]

L. B. McCusker, R. B. Von Dreele, D. E. Cox, D. Louër, and P. Scardi. Rietveld refinement guidelines. Journal of Applied Crystallography, 32:36–50, 1999. doi:10.1107/s0021889898009856.

[MDGMH69]

W. H. McMaster, N. Kerr Del Grande, J. H. Mallett, and J. H. Hubbell. Compilation of X-ray cross sections. Technical Report UCRL-50174 Sec. II Rev. 1, Lawrence Radiation Laboratory, 1969.

[MS75]

A. D. Mighell and A. Santoro. Geometrical ambiguities in the indexing of powder patterns. Journal of Applied Crystallography, 8:372–374, 1975. doi:10.1107/s0021889875010801.

[Mor78]

J. J. Moré. The Levenberg–Marquardt algorithm: implementation and theory. In G. A. Watson, editor, Numerical Analysis, volume 630 of Lecture Notes in Mathematics, pages 105–116. Springer, Berlin, 1978. doi:10.1007/bfb0067700.

[MT91]

J. J. Moré and G. Toraldo. On the solution of large quadratic programming problems with bound constraints. SIAM Journal on Optimization, 1:93–113, 1991. doi:10.1137/0801008.

[NW06]

J. Nocedal and S. J. Wright. Numerical Optimization. Springer, New York, 2nd edition, 2006.

[OT13]

R. Oishi-Tomiyasu. Reversed de Wolff figure of merit and its application to powder indexing. Journal of Applied Crystallography, 46:1277–1282, 2013. doi:10.1107/s0021889813019833.

[OT14]

R. Oishi-Tomiyasu. Robust powder auto-indexing using many peaks. Journal of Applied Crystallography, 47:593–598, 2014. doi:10.1107/s1600576714000922.

[OPC08]

I. Orlov, L. Palatinus, and G. Chapuis. From space to superspace and back: Superspace Group Finder. Journal of Applied Crystallography, 41:1182–1186, 2008. doi:10.1107/s0021889808034390.

[Paw81]

G. S. Pawley. Unit-cell refinement from powder diffraction scans. Journal of Applied Crystallography, 14:357–361, 1981. doi:10.1107/s0021889881009618.

[PMGT+15]

J. M. Perez-Mato, S. V. Gallego, E. S. Tasci, L. Elcoro, G. de la Flor, and M. I. Aroyo. Symmetry-based computational tools for magnetic crystallography. Annual Review of Materials Research, 45:217–248, 2015. doi:10.1146/annurev-matsci-070214-021008.

[PP66]

W. J. A. M. Peterse and J. H. Palm. The anisotropic temperature factor of atoms in special positions. Acta Crystallographica, 20:147–150, 1966. doi:10.1107/s0365110x66000318.

[Pet05]

V. K. Peterson. Lattice parameter measurement using Le Bail versus structural (Rietveld) refinement: A caution for complex, low symmetry systems. Powder Diffraction, 20:14–17, 2005. doi:10.1154/1.1810156.

[PHM93]

W. Pitschke, H. Hermann, and N. Mattern. The influence of surface roughness on diffracted X-ray intensities in Bragg–Brentano geometry and its effect on the structure determination by means of Rietveld analysis. Powder Diffraction, 8:74–83, 1993. doi:10.1017/s0885715600017875.

[Pol71]

E. Polak. Computational Methods in Optimization: A Unified Approach. Academic Press, New York, 1971.

[Pop92]

N. C. Popa. Texture in Rietveld refinement. Journal of Applied Crystallography, 25:611–616, 1992. doi:10.1107/s0021889892004795.

[Pri04]

E. Prince, editor. International Tables for Crystallography, Volume C: Mathematical, Physical and Chemical Tables. Kluwer Academic Publishers, Dordrecht, 2004.

[Rao48]

C. R. Rao. Large sample tests of statistical hypotheses concerning several parameters with applications to problems of estimation. Mathematical Proceedings of the Cambridge Philosophical Society, 44:50–57, 1948. doi:10.1017/s0305004100023987.

[Rie69]

H. M. Rietveld. A profile refinement method for nuclear and magnetic structures. Journal of Applied Crystallography, 2:65–71, 1969. doi:10.1107/s0021889869006558.

[RC93]

J. Rodríguez-Carvajal. Recent advances in magnetic structure determination by neutron powder diffraction. Physica B: Condensed Matter, 192:55–69, 1993. doi:10.1016/0921-4526(93)90108-i.

[Rot58]

W. L. Roth. Magnetic structures of MnO, FeO, CoO, and NiO. Physical Review, 110:1333–1341, 1958. doi:10.1103/physrev.110.1333.

[RCYC70]

K. D. Rouse, M. J. Cooper, E. J. York, and A. Chakera. Absorption corrections for neutron diffraction. Acta Crystallographica Section A, 26:682–691, 1970. doi:10.1107/s0567739470001687.

[RCG+88]

C. G. Ryan, E. Clayton, W. L. Griffin, S. H. Sie, and D. R. Cousens. SNIP, a statistics-sensitive background treatment for the quantitative analysis of PIXE spectra in geoscience applications. Nuclear Instruments and Methods in Physics Research Section B, 34:396–402, 1988. doi:10.1016/0168-583x(88)90063-8.

[Sab85]

T. M. Sabine. Extinction in polycrystalline materials. Australian Journal of Physics, 38:507–518, 1985. doi:10.1071/ph850507.

[Sab88]

T. M. Sabine. A reconciliation of extinction theories. Acta Crystallographica Section A, 44:368–373, 1988. doi:10.1107/s0108767388000613.

[SVDJ88]

T. M. Sabine, R. B. Von Dreele, and J.-E. Jørgensen. Extinction in time-of-flight neutron powder diffractometry. Acta Crystallographica Section A, 44:374–379, 1988. doi:10.1107/s0108767388000625.

[Sch18]

P. Scherrer. Bestimmung der Größe und der inneren Struktur von Kolloidteilchen mittels Röntgenstrahlen. Nachrichten von der Gesellschaft der Wissenschaften zu Göttingen, Mathematisch-Physikalische Klasse, 1918:98–100, 1918.

[Sch78]

G. Schwarz. Estimating the dimension of a model. Annals of Statistics, 6:461–464, 1978. doi:10.1214/aos/1176344136.

[SAF+89]

D. Schwarzenbach, S. C. Abrahams, H. D. Flack, W. Gonschorek, Th. Hahn, K. Huml, R. E. Marsh, E. Prince, B. E. Robertson, J. S. Rollett, and A. J. C. Wilson. Statistical descriptors in crystallography. Acta Crystallographica Section A, 45:63–75, 1989. doi:10.1107/s0108767388009596.

[Sea92]

V. F. Sears. Neutron scattering lengths and cross sections. Neutron News, 3(3):26–37, 1992. doi:10.1080/10448639208218770.

[SL87]

S. G. Self and K.-Y. Liang. Asymptotic properties of maximum likelihood estimators and likelihood ratio tests under nonstandard conditions. Journal of the American Statistical Association, 82:605–610, 1987. doi:10.1080/01621459.1987.10478472.

[Sha85]

A. Shapiro. Asymptotic distribution of test statistics in the analysis of moment structures under inequality constraints. Biometrika, 72:133–144, 1985. doi:10.1093/biomet/72.1.133.

[Shi59]

G. Shirane. A note on the magnetic intensities of powder neutron diffraction. Acta Crystallographica, 12:282–285, 1959. doi:10.1107/s0365110x59000871.

[Shm01]

U. Shmueli, editor. International Tables for Crystallography, Volume B: Reciprocal Space. Kluwer Academic Publishers, Dordrecht, 2001.

[SCS13]

S. van Smaalen, B. J. Campbell, and H. T. Stokes. Equivalence of superspace groups. Acta Crystallographica Section A, 69:75–90, 2013. doi:10.1107/s0108767312041657.

[Smi77]

G. S. Smith. Estimating the unit-cell volume from one line in a powder diffraction pattern. Journal of Applied Crystallography, 10:252–255, 1977. doi:10.1107/s0021889877013478.

[SS79]

G. S. Smith and R. L. Snyder. F_N: a criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing. Journal of Applied Crystallography, 12:60–65, 1979. doi:10.1107/s002188987901178x.

[SDA18]

J. Solà, J. Deray, and D. Atchuthan. A micro Lie theory for state estimation in robotics. 2018. arXiv:1812.01537 (v9, 2021).

[SP95]

P. B. Stark and R. L. Parker. Bounded-variable least-squares: an algorithm and applications. Computational Statistics, 10:129–141, 1995.

[Ste99]

P. W. Stephens. Phenomenological model of anisotropic peak broadening in powder diffraction. Journal of Applied Crystallography, 32:281–289, 1999. doi:10.1107/s0021889898006001.

[SE07]

G. W. Stinton and J. S. O. Evans. Parametric Rietveld refinement. Journal of Applied Crystallography, 40:87–95, 2007. doi:10.1107/s0021889806043275.

[SW44]

A. R. Stokes and A. J. C. Wilson. The diffraction of X rays by distorted crystal aggregates – I. Proceedings of the Physical Society, 56(3):174–181, 1944. doi:10.1088/0959-5309/56/3/303.

[SCS11]

H. T. Stokes, B. J. Campbell, and S. van Smaalen. Generation of (3 + d)-dimensional superspace groups for describing the symmetry of modulated crystalline structures. Acta Crystallographica Section A, 67:45–55, 2011. doi:10.1107/s0108767310042297.

[SH88]

H. T. Stokes and D. M. Hatch. Isotropy Subgroups of the 230 Crystallographic Space Groups. World Scientific, Singapore, 1988.

[Suo72]

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