Figure 2
Flowchart of the indexing-ambiguity-resolving algorithm. Once (an) alternative indexing choice(s) is/are selected, the program calculates the target function (1). A cluster is selected using the k-means algorithm and the solutions are passed on to the merging step. The two steps with dashed outlines indicate additional steps if a subset of the diffraction images is used for the resolution of the indexing ambiguities, instead of the full diffraction data set. In this case, this subset is merged to form a reference data set that is used to bootstrap the determination of the indexing operator for the remaining diffraction images (see Section 2.3). |