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. 2015 Oct 13;48(Pt 6):1627–1636. doi: 10.1107/S1600576715016520

Table 4. Results of the two-dimensional pattern fitting for the experimental data of CuNCN (POWGEN) in comparison to the FullProf refinement.

  CuNCN (two-dimensional Rietveld) CuNCN (focused)
No. parameters 5 27
No. data points 0.62 million 5920
No. reflections 515 276
Calculation time (min) 60 ≃ 1
Scale 0.0160 (1) 1.021 (6)
Background Single value of 0.840 (3) Interpolation between 30 selected points
Lattice parameters (Å) a = 2.98920 (7), b = 6.1423 (2), c = 9.4012 (3) a = 2.98908 (8), b = 6.1420 (3), c = 9.4009 (4)
R p 0.25 0.05

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