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QCMP040. FACTANAL: Target-Transformation Factor
Analysis
by E. R. Malinowski, P. H. Weiner, P. T.
Funke and A. Levinstone, Department of
Chemistry and Chemical Engineering, Stevens
Institute of Technology, Hoboken, New Jersey
07030 and D. G. Howery, J. M. Soroka and R.
B. Selzer, Department of Chemistry, Brooklyn
College of CUNY, Brooklyn, New York 11210
Converted by K. J. Tupper, QCPE FACTANAL allows one to carry out principal component target-transformationfactor analyses of complete matrices of chemical data. Using a Jacobi diagonalization method, the program computes the eigenvalues (abstract factors) for the correlation/covariance matrix formed from the data matrix. The data matrix is reproduced using combinations involving successively smaller eigenvalues. The program performs least-squares target transformations of test vectors related to the physical and structural parameters of the row designees of the matrix (and of the column designees, using the transposed matrix). The target- transformation capability is not available in standard factor-analysis programs.The matrix can be calculated for a given number of factors employing combinations of columns and of rows from the data matrix and combinations of specified complete physical and structural test vectors. A large number of useful printing and tabulational options are included. Sample output for a test problem is explained in the documentation. The original documentation (QCPE 320) is supplied in the program FACTANAL.DOC. One should note that the columns used in the input program for the number of rows and the number of columns has been changed from 1-3 and 4-6 to 1-2 and 3-4, respectively, making this software capable of handling a matrix as large as 99 x 99. One should also note that the format for data read into the matrix has been changed to F10.3. This may be changed by changing the format line labelled 50. The software will read a file named INPUT and write to a file OUTPUT. The status of OUTPUT is specified as 'NEW', so one should take care not to run this software without first changing the name of the old OUTPUT file. The software will also prompt the user for a label for UNIT 8. This is the file that the SUMMARY is written to, and any name can be used. If you want this summary to be written to OUTPUT, specify M14P in the main program as 8. FORTRAN 77 (Microsoft FORTRAN) Lines of Code: 2610 |