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[H2]/[N2]=1 99 is found to be an optimal parameter in the ion nitriding of Fe 30Mn 6Si 5Cr alloy in this study.
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The HF values of the Slater parameters were reduced to 80% to account for screening effects, as was previously found to be the optimal value for the rare-earths M4,5 X-ray absorption spectra.
Thus, the analysis was repeated only using the Enterobacteriaceae dataset for the training, and the same parameters that were found to be optimal in cross-validation.
In most cases the default parameters for scores, pentalties, trimming (-trim_qual = 13 -trim_score = 20) were found to be optimal.
The optimal thermalization parameters were found to be and, corresponding to a gas flow of 0.6 l s−1.
Different values of SVM training parameters were tested, and the optimal parameter settings were found to be γ = 0.8 and C = 1.0.
For penalized PLS-DA, the optimal parameters were found to be K = 2 components and η=0.7 for sparseness.
The optimal clustering number parameter was found to be k = 2 (Supporting Information S1).
Optimal values of the damping parameter are found to be σ= 0.2 0.3 in 2D and σ= 0.8 1.2 in 3D.
This algorithm was previously found to have optimal diagnostic parameters using an expert consensus diagnosis from chart abstraction[ 10, 11].
During parameter calibration, the model trajectories have to be calculated thousands of times until an optimal parameter setting is found.
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