data input options, data normalization, etc.: c:\FACTOR\Andrea_2\ ! Data files directory 3 ! Total number of files n (min 2 max 9999) 1 ! First file number n ! Prefix ? (if no, next line is ignored) u8- ! Prefix (max 50 char) n ! Suffix ? (if no, next line is ignored) ath ! Suffix (max 50 char) txt ! Extension (without dot) 3723 ! Lower limit of abscissa 3730 ! Upper limit of abscissa 1 ! Read in each N-th data point; N = n ! Add noise to the data ? 0.01 ! Noise amplitude n ! y-weighting (Y=y*x^weighting) ? 3 ! weighting value y ! normalize spectra (y/sqrt(variance(y))) ? n ! center and normalize spectra (y-mean_y)/data_points/sqrt(variance(y)) ? PRINCIPAL COMPONENT ANALYSIS (PCA) and VARIMAX: 3 ! Number of expected components (PCA) n ! Fourier transf. of eigenvectors, exp. data and abstr. reproductions ? (PCA) 0.5 ! Graphical y-offset for Fourier transforms (PCA) -0.001 ! Graphical y-offset for abstract reproductions (PCA) 1 ! Use the abscissa scale from file number n for interpolation on unique x axis (PCA) ITERATIVE TARGET TEST (ITT): fract2.txt ! Concentration test vector filename (ITT) n ! Suppress double concentration maxima ? (ITT) n ! Fourier transform of the component spectra ? (ITT) 0 ! Graphical y-offset the component spectra (ITT) y ! adjust sum of relative component concentrations to 1 ? (ITT) n ! de-normalize ? (ITT) (if the spectra were normalized with (y/sqrt(variance(y)), see above) 0 ! y-weighting of the component spectra (ITT)