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. 2024 Jul 10;11(Pt 5):762–779. doi: 10.1107/S205225252400486X

Table 1. Datasets included in the ML-SAScombine calculations for updated consensus data that were used for Guinier and p(r) analyses (Fig. 2, Tables 2 and 3).

NSS, Nbatch, NI(q), Ninst, Nbin, are the numbers of SEC-SAXS profiles, batch profiles, total I(q) profiles combined, contributing instruments, bins specified for ML-SAScombine. For RNase A and urate oxidase, the qmin values for the batch data were spread over the ranges indicated in square brackets to minimize effects of the changes in error magnitude around the merge region.

Protein N SS SEC-SAXS qmin−1) N batch Batch qmin−1) N I (q) N inst N bin Cumulative χ2 value/NI(q) (maximum χ2) Error adjustment factor per BayesApp
Xylose isomerase 6 0.01 4 0.01 29 10 501 1.04 (1.37) 1.72
16 0.08
3 0.3
Urate oxidase 9 0.01 25 [0.00788, 0.00812] 34 9 501 1.09(1.65) 1.28
Xylanase 4 0.01 11 0.18 17 7 501 0.84 (1.13) 1.06
2 0.25
Lysozyme 0 11 0.01 12 5 251 0.92 (1.15) 1.14
1 0.5
RNase A 6 0.005 12 [0.075, 0.085] 24 9 251 0.96 (1.16) 1.29
6 [0.10, 0.20]

The cumulative χ2 value = Σχ2 for each contributing experimental I(q) calculated according to equation (4).