1. Calculate inter-spectral distances Dij,k (Fig. 1d) |
2. Calculate the average diameter distances D̑i,k (Fig. 1e) |
3. Fit D̑i,k to the chosen distribution Ck for each Lab xi (Fig. 1f) |
4. Calculate Z matrix (Fig. 1g) |
5. Perform PCA on Z (Fig. 1g) |
6. Identify the L principal components (Fig. 1g) |
7. Calculate projected distances ||Ti,L|| for each laboratory (Fig. 1g). |
a. Fit ||Ti,L|| to the chosen distribution C̑
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b. Calculate projected distance scores Z̑i
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c. Remove data set i if Z̑i > Z̑95 and go to step 7a |