Model

Calibration set

Test set

Wavelength range(cm-1

Preprocessing method

Calibration

Test

R2

RMSECV*

R2

RMSEP*

Cefoperazone sodium for injection [15]

22 batches from 14 manufacture including 17 batches of  crystalline  and 5 batches of amorphous

19 batches including 15 batches of  crystalline  and 4 batches of amorphous from 9 manufacture

4243~4424

5443~6253

First derivation and Vector normalization

98.5

0.857

/

3.66

Ceftriaxone sodium for injection[17]

60 batches from 28 manufacture

85 batches from 28 manufacture

6993~5527

4602~4227

First derivation and Vector normalization

94.3

1.21

/

1.07

Cefuroxime sodium for injection[18]

59 batches from 11 manufacture

38 batches from 11 manufacture

11004.6~7494.6

6102.1~4246.8

First derivation and Vector normalization

98.9

1.28

94.2

2.21


* RMSECV means root mean square error of cross validation and RMSEP means root mean square error of prediction.
Table 1: The parameters of the quantitative model mentioned in this study.
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