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Supplementary figures S1, S2 and S3. DOI: 10.1107/S1600577514013526/hf5263sup1.pdf

Information about the workings of the NSS analysis referred to in the main text and included in the PCA_Estimator.exe programme supplied in the zip file of the supplementary material. DOI: 10.1107/S1600577514013526/hf5263sup2.pdf

Graphical data-analysis programme and user manual for the calculation of the number of pure component XAFS spectra from a dataset of multicomponent spectra. The datasets listed in Table 1 are also included. DOI: 10.1107/S1600577514013526/hf5263sup3.zip

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