Figure 7. A flow chart ‘user guide' for the implementation of the proposed CHESCA tool set.

Initially, the chart starts with CHESCA-CL, since it provides an optimal balance between the minimization of false positives and false negatives. If residual false positives are detected through CHESPA, the application of the CHESCA-I approach is recommended to minimize those arising from the CCS compression. If false negatives are revealed through CHESPA, the implementation of the CHESCA-SL algorithm is also advised. It is sufficient to implement each type of CHESCA analysis only once. However, multiple types of CHESCA analyses (i.e. SL, CL, I) are often needed for a single chemical shift data set.