Table 7 Results of the comparison between the NMF extracted components and the ground truth from Rietveld refinement on real PXRD data test

From: Stretched non-negative matrix factorization

Method

Component

Ground truth

Rw (PC)

Conventional NMF

1

MgMn2O4

0.9214 (0.3402)

 

2

 

0.9175 (0.3519)

 

1

tYOCl

0.4498 (0.8863)

 

2

 

0.4575 (0.8819)

stretchedNMF

1

MgMn2O4

0.8020 (0.5655)

 

2

 

0.9831 (0.1246)

 

1

tYOCl

0.6433 (0.7492)

 

2

 

0.3493 (0.9330)

sparse-stretchedNMF

1

MgMn2O4

0.4851 (0.8682)

 

2

 

0.9977 (0.0137)

 

1

tYOCl

0.9646 (0.2254)

 

2

 

0.3273 (0.9422)

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