Crystallinity of samples

Original model which calibration set only containing crystalline form[17 ]

New model which calibration set containing amorphous and crystalline forms

Prediction content (%,mg/mg)

Content difference with true (HPLC 82.9%)

Prediction content (%,mg/mg)

Content difference with true (HPLC 82.9%)

0%

35.1

47.8

81.4

1.5

10%

40.7

42.2

79.7

3.2

20%

47.1

35.8

81.5

1.4

30%

51.6

31.4

82.0

0.9

40%

56.1

26.8

80.8

2.1

50%

60.9

22.0

81.5

1.4

60%

65.4

17.5

81.6

1.3

70%

69.9

13.0

82.3

0.6

80%

73.0

9.9

81.9

1.0

90%

77.3

5.6

82.6

0.3

100%

81.6

1.3

82.6

0.3

Mean (%)

59.9

23.0

81.6

1.3

RMSEP (%)

27.2

1.5

Table 8: The NIR Prediction results of ceftriaxone sodium with different crystallinity by models constructed from different calibration sets. The results are shown in the Table 8. The PLS loading 1 of
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