**WebShop**the

**Calibration statistics**are shown as (example):

```
Calibration Set (36)
R2 = 0.98724
RPD = 8.8525
RMSEC = 0.3308
SEC = 0.3355
Bias = 0.0000
Test Set (29)
R2 = 0.98792
RPD = 9.0970
RMSEP = 0.3249
SEP = 0.3304
Bias = 0.0140
```

## What does that mean?

The data is splited into**3 independent sets**.

The "Reference vs. Predicted" plot shows the 3 sets in different colors.

The

**Calibration Set (CSet)**to

*build*the calibration and

the

**Validation Set (VSet)**used to

*determine*the calibration parameters and

the

**Test Set (TSet)**used to

*measure*the calibration performance.

The statistical values are listed for the CSet and the TSet as follow:

## Calibration Set (the number of spectra per set)

```
R = Poor 0.0 - 1.0 Excellent
correlation coefficient or coefficient of correlation,
how close the data are to the fitted regression line.
R2 = Poor 0.0 - 1.0 Excellent
R-squared value or coefficient of determination.
R2 = R * R : determination (R2) is the square of the correlation (R).
RPD = Degrees of merit for the Ratio of Performance Deviation (RPD) to the application of NIR spectroscopy.
RPD value Rating NIR Application
0.0 - 1.99 Very poor Not recommended
2.0 - 2.49 Poor Rough screening
2.5 - 2.99 Fair Screening
3.0 - 3.49 Good Quality control
3.5 - 4.09 Very good Process control
4.1 - oo Excellent Any application
RMSEC = Accuracy = total error : Root Mean Square Error of Calibration
SEC = Precision = random error : Standard Error of Calibration = Sdev(x-y): as small as possible (around the standard deviation of the reference method)
Bias = Trueness = systematic error : by definition 0 for the calibration.
```

## Test Set (the number of spectra per set)

```
R = Correlation , as above
R2 = Determination , as above
RPD = Applicativity , as above
RMSEP = Accuracy = total error : Root Mean Square Error of Prediction
SEP = Precision = random error : Standard Error of Prediction = Sdev(x-y) : as small as possible (around the standard deviation of the reference method)
Bias = Trueness = systematic error : around 0
```

## Total simplified

```
look at
Test Set RPD : for rating and applicativity
and
Test Set RMSEP : for comparison with reference method
```

In our **WebShop**the

**Calibration statistics**are shown as (example):

```
Calibration Set (36)
R2 = 0.98724
RPD = 8.8525
RMSEC = 0.3308
SEC = 0.3355
Bias = 0.0000
Test Set (29)
R2 = 0.98792
RPD = 9.0970
RMSEP = 0.3249
SEP = 0.3304
Bias = 0.0140
```

## What does that mean?

The data is splited into**3 independent sets**.

The "Reference vs. Predicted" plot shows the 3 sets in different colors.

The

**Calibration Set (CSet)**to

*build*the calibration and

the

**Validation Set (VSet)**used to

*determine*the calibration parameters and

the

**Test Set (TSet)**used to

*measure*the calibration performance.

The statistical values are listed for the CSet and the TSet as follow:

## Calibration Set (the number of spectra per set)

```
R = Poor 0.0 - 1.0 Excellent
correlation coefficient or coefficient of correlation,
how close the data are to the fitted regression line.
R2 = Poor 0.0 - 1.0 Excellent
R-squared value or coefficient of determination.
R2 = R * R : determination (R2) is the square of the correlation (R).
RPD = Degrees of merit for the Ratio of Performance Deviation (RPD) to the application of NIR spectroscopy.
RPD value Rating NIR Application
0.0 - 1.99 Very poor Not recommended
2.0 - 2.49 Poor Rough screening
2.5 - 2.99 Fair Screening
3.0 - 3.49 Good Quality control
3.5 - 4.09 Very good Process control
4.1 - oo Excellent Any application
RMSEC = Accuracy = total error : Root Mean Square Error of Calibration
SEC = Precision = random error : Standard Error of Calibration = Sdev(x-y): as small as possible (around the standard deviation of the reference method)
Bias = Trueness = systematic error : by definition 0 for the calibration.
```

## Test Set (the number of spectra per set)

```
R = Correlation , as above
R2 = Determination , as above
RPD = Applicativity , as above
RMSEP = Accuracy = total error : Root Mean Square Error of Prediction
SEP = Precision = random error : Standard Error of Prediction = Sdev(x-y) : as small as possible (around the standard deviation of the reference method)
Bias = Trueness = systematic error : around 0
```

## Total simplified

```
look at
Test Set RPD : for rating and applicativity
and
Test Set RMSEP : for comparison with reference method
```

In our **WebShop**the

**Calibration statistics**are shown as (example):

```
Calibration Set (36)
R2 = 0.98724
RPD = 8.8525
RMSEC = 0.3308
SEC = 0.3355
Bias = 0.0000
Test Set (29)
R2 = 0.98792
RPD = 9.0970
RMSEP = 0.3249
SEP = 0.3304
Bias = 0.0140
```

## What does that mean?

The data is splited into**3 independent sets**.

The "Reference vs. Predicted" plot shows the 3 sets in different colors.

The

**Calibration Set (CSet)**to

*build*the calibration and

the

**Validation Set (VSet)**used to

*determine*the calibration parameters and

the

**Test Set (TSet)**used to

*measure*the calibration performance.

The statistical values are listed for the CSet and the TSet as follow:

## Calibration Set (the number of spectra per set)

```
R = Poor 0.0 - 1.0 Excellent
correlation coefficient or coefficient of correlation,
how close the data are to the fitted regression line.
R2 = Poor 0.0 - 1.0 Excellent
R-squared value or coefficient of determination.
R2 = R * R : determination (R2) is the square of the correlation (R).
RPD = Degrees of merit for the Ratio of Performance Deviation (RPD) to the application of NIR spectroscopy.
RPD value Rating NIR Application
0.0 - 1.99 Very poor Not recommended
2.0 - 2.49 Poor Rough screening
2.5 - 2.99 Fair Screening
3.0 - 3.49 Good Quality control
3.5 - 4.09 Very good Process control
4.1 - oo Excellent Any application
RMSEC = Accuracy = total error : Root Mean Square Error of Calibration
SEC = Precision = random error : Standard Error of Calibration = Sdev(x-y): as small as possible (around the standard deviation of the reference method)
Bias = Trueness = systematic error : by definition 0 for the calibration.
```

## Test Set (the number of spectra per set)

```
R = Correlation , as above
R2 = Determination , as above
RPD = Applicativity , as above
RMSEP = Accuracy = total error : Root Mean Square Error of Prediction
SEP = Precision = random error : Standard Error of Prediction = Sdev(x-y) : as small as possible (around the standard deviation of the reference method)
Bias = Trueness = systematic error : around 0
```

## Total simplified

```
look at
Test Set RPD : for rating and applicativity
and
Test Set RMSEP : for comparison with reference method
```