A Transparent Tool for Seemingly Difficult ... - ACS Publications

Marina Vannucci, Michael J. McShane, and. Gerald L. Cote. (Anal. Chem. 2000, 72, 135r140). We would like to thank Dr. Paul Kramer and Richard Spragg...
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Anal. Chem. 2000, 72, 1944

Correction A Transparent Tool for Seemingly Difficult Calibrations: The Parallel Calibration Method Clifford H. Spiegelman, Jerome F. Bennett, Marina Vannucci, Michael J. McShane, and Gerald L. Cote (Anal. Chem. 2000, 72, 135-140).

We would like to thank Dr. Paul Kramer and Richard Spragg for pointing out to us an earlier presentation using the algorithm in our paper, which was published by G. L. McClure, P. B. Roush, J. F. Williams, and C. Lehmann, “Application of Computerized Infrared Spectroscopy to the Analysis of the Principal Lipids Found in Blood Serum,” in: Computerized Quantitative Infrared Analysis, pps. 131-179, ASTM Special Technical Publication 934, G. L. McClure, Ed. American Society of Testing Materials, Philadelphia, PA, 1987. Additionally, Tables 1 and 2 were printed incorrectly. The correct tables are shown below. Table 1. Mean Squared Errors for Pseudogasoline Dataa method

G1

G2

G3

G4

G5

aveb

corrc

PLS PAR CLS

0.39 0.12 13.95

0.11 0.07 39.96

0.09 0.08 9.78

0.34 0.10 74.86

0.21 0.07 25.19

0.23 0.09 32.75

1.00 1.00 0.59

a Mean squared errors were computed for test sets comprising 20% of the total sample sizes b The average MSE over the ingredients for each method. c The correlation between the predicted concentrations and the true concentration for each method.

Table 2. Mean Squared Errors for Aqueous Mixture Dataa method

glucose

lactate

ammonia

glutamate

glutamine

aveb

corrc

PLS PAR CLS

0.41 0.12 3.62

0.19 0.01 0.13

0.08 0.00 0.09

0.26 0.01 0.23

0.33 0.12 2.70

0.25 0.05 1.36

0.99 1.00 0.59

a Leave-one-out cross-validation was used to estimate mean squared errors. b The average MSE over the ingredients for each method. c The correlation between the predicted concentrations and the true concentration for each method.

AC001704U 10.1021/ac001704u Published on Web 03/21/2000