Cas

1: HPLC vs NIRS
1 Ordinary Least Square regression - NIRS vs HPLC-UV

Linear Fit
NIR = 2.9097369 + 0.9973335*HPLC-UV

Summary of Fit

RSquare 0.997327
RSquare Adj 0.997308
Root Mean Square Error 15.55685
Mean of Response 1087.331
Observations (or Sum Wgts) 145

1
Lack Of Fit
Source DF Sum of Squares Mean Square F Ratio
Lack Of Fit 139 34508.241 248.261 9.9304
Pure Error 4 100.000 25.000 Prob > F
Total Error 143 34608.241 0.0179*
Max RSq

Analysis of Variance
Source DF Sum of Squares Mean Square F Ratio
Model 1 12912132 12912132 53352.46
Error 143 34608 242.01567 Prob > F
C. Total 144 12946740 <.0001*

Parameter Estimates
Term Estimate Std Error t Ratio Prob>|t|
Intercept 2.9097369 4.869353 0.60 0.5511
HPLC-UV 0.9973335 0.004318 230.98 <.0001*

Diagnostics Plots
Residual by Predicted Plot

Actual by Predicted Plot

2
Residual by Row Plot

Residual by X Plot

Residual Normal Quantile Plot

3
2 Error in variables regressions of NIR By HPLC-UV

Orthogonal Regression=Deeming
Variable Mean Std Dev Variance Correlation
Ratio
HPLC-UV 1087.321 300.2461 1 0.9987
NIR 1087.331 299.8465

Intercept Slope LowerCL UpperCL Alpha

1.459365 0.998667 0.990157 1.007251 0.05000

Inverse fitting (switch X and Y)

Variable Mean Std Dev Variance Correlation
Ratio
HPLC-UV 1087.321 300.2461 0 0.9987
NIR 1087.331 299.8465

Intercept Slope
0.003175 1.000007

3 Bland- Altman Plot

4
Cas 2 : NIRS vs RX

1 Ordinary Least Square regression - NIRS vs HPLC-UV

RX

Linear Fit
RX = -0.00485 + 1.000553*NIR

5
Summary of Fit

RSquare 0.999665
RSquare Adj 0.999655
Root Mean Square Error 0.525747
Mean of Response 62.54806
Observations (or Sum Wgts) 36

Analysis of Variance
Source DF Sum of Squares Mean Square F Ratio
Model 1 28044.364 28044.4 101459.4
Error 34 9.398 0.27641 Prob > F
C. Total 35 28053.762 <.0001*

Parameter Estimates
Term Estimate Std Error t Ratio Prob>|t|
Intercept -0.00485 0.215044 -0.02 0.9821
NIR 1.000553 0.003141 318.53 <.0001*

Diagnostics Plots
Residual by Predicted Plot

Actual by Predicted Plot

6
Residual by Row Plot

Residual by X Plot

Residual Normal Quantile Plot

7
2 Error in variables regressions of RX By NIR

Orthogonal Regression = Deming

Variable Mean Std Dev Variance Correlation
Ratio
NIR 62.51833 28.29102 1 0.9998
RX 62.54806 28.31141

Intercept Slope LowerCL UpperCL Alpha

-0.01534 1.000721 0.994356 1.007126 0.05000

Inverse fitting (switch X and Y)

Variable Mean Std Dev Variance Correlation
Ratio
NIR 62.51833 28.29102 0 0.9998
RX 62.54806 28.31141

Intercept Slope
-0.02581 1.000888

3 Bland- Altman Plot

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