Table 2 Results of the comparison between the NMF extracted components and the ground-truth PDFs on simulated PDF data test with 20% and 10% expansions

From: Stretched non-negative matrix factorization

Method

Component

Ground truth

Rw (PC)

Conventional NMF

1

BaTiO3

0.9488 (0.3157)

 

2

 

0.9050 (0.4255)

 

1

ZnSe

0.9186 (0.3953)

 

2

 

0.8462 (0.5328)

stretchedNMF

1

BaTiO3

0.1357 (0.9911)

 

2

 

0.9750 (0.2225)

 

1

ZnSe

0.8600 (0.5104)

 

2

 

0.1162 (0.9937)

  1. Rw and PC are the residual and the Pearson Correlation values between the numerical solution and the ground truth.
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