Development procedure, classification

Figure 1.3 Classification of chromatographic methods according to development procedure, for components A, B, C and eluant E.

In order to develop the classifications presented in this section, we will apply the fuzzy divisive hierarchical clustering (FDHiC) procedure described in the theoretical section to different characteristic sets considered here. The hierarchical procedure obtained in this way is called fuzzy hierarchical characteristics clustering (FHiChC). 

Often the goal of a data analysis problem requites more than simple classification of samples into known categories. It is very often desirable to have a means to detect oudiers and to derive an estimate of the level of confidence in a classification result. These ate things that go beyond sttictiy nonparametric pattern recognition procedures. Also of interest is the abiUty to empirically model each category so that it is possible to make quantitative correlations and predictions with external continuous properties. As a result, a modeling and classification method called SIMCA has been developed to provide these capabihties (29—31). 

This classification problem can then be solved better by developing more suitable boundaries. For instance, using so-called quadratic discriminant analysis (QDA) (Section 33.2.3) or density methods (Section 33.2.5) leads to the boundaries of Fig. 33.2 and Fig. 33.3, respectively [3,4]. Other procedures that develop irregular boundaries are the nearest neighbour methods (Section 33.2.4) and neural nets (Section 33.2.9). 

The traditional classification system developed by the National Research Council (NRC) stratifying surgical procedures by infection risk is reproduced in Table 48-1. The NRC wound classification for a specific procedure is determined intraoperatively and is the primary determinant of whether antibiotic prophylaxis is warranted. 

The United Nations Globally Harmonized System of Classification and Labelling of Chemicals (GHS) includes an internationally standardized guidance procedure on Transformation/Dissolution Protocol (T/DP) for metals and sparingly soluble metal compounds (United Nations, 2007), recently validated by the OECD (Organization for Economic Cooperation and Development). To establish the acute aquatic hazard classification level of a metal-bearing substance under the GHS, data from the T/DP are compared with an acute ecotoxicity reference value (ERV) derived under conditions similar to those of the T/DP. 

The classification procedure developed by Madron is based on the conversion, into the canonical form, of the matrix associated with the linear or linearized plant model equations. First a composed matrix, involving unmeasured and measured variables and a vector of constants, is formed. Then a Gauss-Jordan elimination, used for pivoting the columns belonging to the unmeasured quantities, is accomplished. In the next phase, the procedure applies the elimination to a resulting submatrix which contains measured variables. By rearranging the rows and columns of the macro-matrix,... 

The classification of separation techniques as shown in Table 3.2 is concise and easy to remember but it is also simplistic because it appears to imply that only one factor is involved in each technique. In practice, the effectiveness of any method is a composite of many factors, the one indicated in the table usually being the most significant. Some of the developments in separation procedures exploit this range of factors involved in any separation technique by using conditions or reagents designed to minimize one or maximize another. As a consequence, the techniques and instrumentation of separation methods are constantly changing but the fundamental principles remain the same and need to be understood in order to appreciate the usefulness and limitations of any particular technique. 

---