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A new IUPAC consistent approach to the limit of detection in partial least squares calibration

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Figure

Figure  1. A)  Pure  component  spectra employed to  build  the  synthetic  data  sets:  blue  line,  analyte  of  interest,  green  and  red  lines,  additional  sample  components
Figure  2.  Location  of  samples  in  PLS  score  space  for  the  ternary  synthetic  data  set:
Figure  3.  Schematic  representation  of  the  minimum  and  maximum  LOD  values  proposed in the present report, and the decisions concerning the presence or absence of  the  analyte  in  different  concentration  ranges
Table 1. Comparison of LOD values in the simulated system. a
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