| d | experimental data matrix |
| x0 | initial estimates of the concentration profiles or of the species spectra |
| ils | allows to declare if all matrices contain the same number of species. By default, in this file, all species are present in all matrices |
| nexp | number of data matrices analyzed simultaneously |
| nit | maximum number of iterations (50 is the default) |
| tolsigma | convergence criterion in the difference of standard deviation of residuals between iterations (0.1% is the default) |
| sizes | vector of sizes of individual single matrices that constitute the augmented (unfolded) matrix |
| columnwise | =1 if it is a columnwise augmented matrix, =0 otherwise |
| rowwise | =1 if it is a rowwise augmented matrix, =0 otherwise |
| nonnegativityvalue | =1 if non negativity constraint is used |
| nonnegativityconcentrations | =1 if non negativity constraint for concentrations is used |
| nonnegativityconcspectra | =1 if non negativity constraint for concentrations AND spectra is used |
| nonnegativityspectra | =1 if non negativity constraint for spectra is used |
| nonnegativityforcedtozero | =1 if to apply non negativity constraint it is forced to zero |
| nonnegativitynnls | =1 if nnls algorithm is used to apply non negativity constraint |
| nonnegativityfnnls | =1 if fnnls algorithm is used to apply non negativity constraint |
| unimodalityvalue | =1 if unimodality constraint is used |
| unimodalityconcentrations | =1 if unimodality constraint is applied to concentrations |
| unimodalityspectra | =1 if unimodality constraint is applied to spectra |
| unimodalityconcspec | =1 if unimodality constraint is applied to concentrations AND spectra |
| unimodalityvertical | =1 if vertical unimodality constraint is applied |
| unimodalityhorizontal | =1 if horizontal unimodality constraint is applied |
| unimodalityaverage | =1 if average unimodality constraint is applied |
| unimodalitytolerance | tolerance limit for unimodality constraint |
| closurevalue | =1 if closure constraint is used |
| closureconcentrations | =1 if closure constraint is applied to concentrations |
| closurespectra | =1 if closure constraint is applied to spectra |
| closureconstant | closure constant for closure constraint |
| eqconstconcvalue | =1 if equality constraint for concentration profiles is used |
| eqconstspecvalue | =1 if equality constraint for spectral profiles is used |
| eqconstconccsel | value of the equality constraint in concentrations |
| eqconstspecssel | value of the equality constraint in spectra |
| threewayvalue | =1 by default to specify it works with a threeway dataset |
| threewayconstC | =1 if threeway constant is used for concentration profiles |
| threewayconstS | =1 if threeway constant is used for spectral profiles |
| threewayconstCS | =1 if threeway constant is used for concentration AND spectral profiles |
| threewaynotrilinear | =1 if the datamatrix does not have trilinear structure |
| threewaytrilinearshapesynchallspecies | =1 if trilinear structure with synchronization and equal shapes for all species are present |
| threewaytrilinearshapeallspecies | =1 if trilinear structure and equal shapes for all species are present |
| threewaytrilinearsynchsomespecies | =1 if trilinear structure with synchronization for some species is present |
| ModelIn | structure for inputs (before modelling step) |
| ModelOut | structure for outputs (after modelling step) |