Verification of a method for determining the degree of crystallinity using experimental and computer-generated powder diffraction patterns. Corrigendum

An erroneous equation and some values of related parameters in the paper by Toraya [J. Appl. Cryst. (2023), 56, 1751–1763] are corrected.

In the paper by Toraya (2023), the term in equation (15) on page 1754 should be divided by the disorder factor D, defined as . It was, however, multiplied with D. The correct equation is given by

Since and d is a variable that is optimized together with the degree of crystallinity, D₀, during the minimization of the cost function S [equation (22)], the only consequence of this error is considered to be essentially the change of the sign of d from plus to minus and vice versa. The D₀ and d values were recalculated for all intensity datasets used in the study, and their correct values are given in Table 1. As was expected, large negative values of d in Table 2 of Toraya (2023) were converted to relatively large positive values in Table 1 of the present article. Large downward deviations of d values from the horizontal line with in Fig. 7 of Toraya (2023) were converted to upward deviations after the recalculation. The influences of other, small d values were negligible, since, for example, for when . The grand averages for the deviations of the derived D₀ values from the nominal values were almost unchanged between the two calculations.

Table 1
Corrected D₀ and d values

	DOCAv (%)
	Non-corrected halo pattern					Corrected halo pattern
wC:wNC	2:8	4:6	6:4	8:2	Av.	2:8	4:6	6:4	8:2	Av.
E	19.28	38.40	57.97	78.00	1.59	19.28	38.47	57.87	77.58	1.70
	19.30	38.52	58.11	78.10	1.49	19.29	38.54	58.01	77.90	1.57
C	18.93	38.69	58.51	78.52	1.34	18.87	38.58	58.37	78.21	1.49
	18.93	38.77	58.61	78.62	1.27	18.88	38.68	58.54	78.45	1.36
C-p100	20.51	41.29	62.57	84.07	2.11	20.36	40.94	61.75	82.68	1.43
	20.43	41.18	62.07	83.05	1.68	20.41	41.05	61.88	82.78	1.53
C-p50	20.22	40.66	61.87	82.66	1.35	19.99	40.17	60.47	80.96	0.40
	20.10	40.43	60.84	81.38	0.69	20.03	40.26	60.59	81.04	0.48
C-p25	19.04	38.23	58.06	77.79	1.72	18.85	37.78	56.77	75.85	2.69
	18.86	37.80	56.78	75.88	2.67	18.88	37.86	56.87	75.96	2.61
G. Av.					1.62					1.54
					1.56					1.51

	Averaged values of disorder parameter (d × 10^2)
	Non-corrected halo pattern				Corrected halo pattern
wC:wNC	2:8	4:6	6:4	8:2	2:8	4:6	6:4	8:2
E	0.191	0.159	0.149	0.140	0.199	0.152	0.158	−0.346
	0.207	0.159	0.168	0.138	0.192	0.159	0.185	0.155
C	0.165	0.149	0.192	0.137	0.166	0.156	0.191	−0.184
	0.164	0.151	0.181	0.146	0.165	0.166	0.195	0.122
C-p100	0.191	0.190	1.537	2.272	0.201	0.169	0.301	0.178
	0.194	0.160	0.339	0.150	0.194	0.166	0.321	0.180
C-p50	0.229	0.194	2.939	2.443	0.225	0.136	0.104	0.184
	0.230	0.201	0.265	0.180	0.217	0.160	0.254	0.180
C-p25	0.162	0.770	3.438	3.739	0.167	0.149	0.114	0.076
	0.166	0.150	0.113	0.191	0.167	0.145	0.114	0.159