Combining datasets

Value/origin of model parameters Estimated based on data available Estimated using combined datasets or taken from different sources (e.g. databases, literature, own experiments)... 

In order to develop a melting point model a dataset was created from prior published sources. Melting points from the PHYSPROP database [40] and from the work of Karthikeyan and coworkers [41] were combined. However, we had to find out that this combined dataset contains a significant amount of noise, plainly speaking basically questionable entries. Thns, suspect data points were ranoved or corrected resulting in a dataset containing the melting point and SMILES of more than 12,(XX) compounds. 

Note The total number of characters in the combined dataset used in all analyses is 1847. 

The topology of the trees obtained from the MP analyses of the morphological dataset closely resemble those obtained by Kruijer (2002) and are not shown here. The trees obtained from the MP analyses of the molecular dataset are similar to the ones obtained from the MP analyses of the combined dataset. The analyses of the combined dataset, however, resulted generally in better supported branches and a higher resolution of, e.g., the Hypopterygiaceae clade and the results of these analyses are therefore presented here. 

FIGURE 4.22 Strict consensus of six MPTs (length 1028, Cl 0.571, RI 0.533, RC 0.305) found during the parsimony ratchet of the combined dataset (morphological and sequence data). Values under branches ( d-... 

On the basis of the combined dataset the following hypothesis was proposed [73] Two alpha decaying levels in Sg exist. Their half-lives are very similar, with 9 and 16 s, respectively. This similarity in half-lives makes a distinction on... 

Data fits were carried out with the combined dataset, excluding the data from Lloyd et al. (1976) and Bennett and Kerr (1990), which are somewhat lower than the remaining data, and the high temperature data point of Tranter and Walker (2001). A fit of the Arrhenius expression to the remaining data measured at T < 300 K yields A (OH + DEE) = 4.62 x 10 2 exp(289/r) cm molecule ... 

The reaction of NO3 with diethyl ether has been the subject of two studies, a combined absolute and relative rate study by Langer and Ljungstrbm (1994a) and a relative rate study by Chew et al. (1998). Data are summarized in table III-B-8 and figure III-B-2. A fit of the simple Arrhenius expression to the combined dataset yields A(N03 DEE)... 

The reaction of OH with CF3OCF2CF2H has been the subject of two relative rate studies, one at 295 K (Andersen et al., 2005b) and one over the range 269-403 K (Wilson et al., 2007). There is good agreement between the two measurement groups. Fitting of the combined dataset yields A = 5.3 x 10 exp(-l,655/r) cm molecule"... 

The data of Tokuhashi et al. (2000b), Chen et al. (2003a), and Wilson et al. (2007) for the rate coefficient for reaction of OH radicals with CF3CH2OCF2CF2H are in excellent agreement, see table III-G-44 and figure ni-G-9 for a summary. Fitting of the combined dataset to the simple Arrhenius equation yields fe = 1.0 x 10 exp(—1,394/7) cm ... 

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