Corrspec: Difference between revisions
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===Description=== | ===Description=== | ||
CORRSPEC resolves a correlation map of two spectroscopies into the maps of individual components, their associated resolved spectra and the contributions ("concentrations") of the components in the original mixture spectra. | CORRSPEC resolves a correlation map of two spectroscopies into the maps of individual components, their associated resolved spectra and the contributions ("concentrations") of the components in the original mixture spectra. | ||
INPUTS | ====INPUTS==== | ||
* xspec : (2-way array class "double" or "dataset") x-matrix for dispersion matrix. | * '''xspec''' : (2-way array class "double" or "dataset") x-matrix for dispersion matrix. | ||
* yspec : (2-way array class "double" or "dataset") y-matrix for dispersion matrix. | * '''yspec''' : (2-way array class "double" or "dataset") y-matrix for dispersion matrix. | ||
* ncomp : (scalar or n x 2 matrix) if ncomp = scalar then function will calculate first n resolved pure purity components. If ncomp = n x 2 matrix, each row indicates the x and y position (index) to calculate the purity solution. If empty, the initial matrices will be calculated. | * '''ncomp''' : (scalar or n x 2 matrix) if ncomp = scalar then function will calculate first n resolved pure purity components. If ncomp = n x 2 matrix, each row indicates the x and y position (index) to calculate the purity solution. If empty, the initial matrices will be calculated. | ||
OUTPUTS | ====OUTPUTS==== | ||
* purintx : resolved x contributions('concentrations'). | * '''purintx''' : resolved x contributions('concentrations'). | ||
* purinty : resolved y contributions('concentrations'). | * '''purinty''' : resolved y contributions('concentrations'). | ||
* purspecx : resolved x pure component spectra. | * '''purspecx''' : resolved x pure component spectra. | ||
* purspecy : resolved y pure component spectra. | * '''purspecy''' : resolved y pure component spectra. | ||
* map : cell with ncomp resolved dispersion matrixes, each with | * '''map''' : cell with ncomp resolved dispersion matrixes, each with | ||
* size: size(yspec,2)\*size(xspec,2) | * '''size''': size(yspec,2)\*size(xspec,2) | ||
* model : standard model structure, used for prediction (same pure variables on other data set) and add components to the model. The series of correlation maps resulting from the sequential elimination of components is stored in the field detail.matrix. See function corrspecengine for detailed description of matrix. The series of resolved correlation maps is stored in field detail.maps. Once a model has been calculated it can be used to predict x spectra from y spectra and vice versa. | * '''model''' : standard model structure, used for prediction (same pure variables on other data set) and add components to the model. The series of correlation maps resulting from the sequential elimination of components is stored in the field detail.matrix. See function corrspecengine for detailed description of matrix. The series of resolved correlation maps is stored in field detail.maps. Once a model has been calculated it can be used to predict x spectra from y spectra and vice versa. | ||
===Options=== | ===Options=== | ||
* plots_spectra : ['off'|{'on'}] governs level of plotting for spectra. | * '''plots_spectra''' : ['off'|{'on'}] governs level of plotting for spectra. | ||
* plots_maps : ['off'|{'on'}] governs level of plotting for maps. | * '''plots_maps''' : ['off'|{'on'}] governs level of plotting for maps. | ||
* offset : noise correction factor. One element defines offset for both x and y, two elements separately for x and y. | * '''offset''' : noise correction factor. One element defines offset for both x and y, two elements separately for x and y. | ||
* inactivate : [ ] logical matrix of indices not to be used in purity calculation. | * '''inactivate''' : [ ] logical matrix of indices not to be used in purity calculation. | ||
* dispersion : [1] See max (below). | * '''dispersion''' : [1] See max (below). | ||
* max : [3] If not given, only weight matrix will be calculated, otherwise select one of the options below: | * '''max''' : [3] If not given, only weight matrix will be calculated, otherwise select one of the options below: | ||
* 1: standardized, offset corrected | * '''1''': standardized, offset corrected | ||
* 2: length sqrt(nrows), offset corrected | * '''2''': length sqrt(nrows), offset corrected | ||
* 3: purity about mean, offset corrected | * '''3''': purity about mean, offset corrected | ||
* 4: purity about origin, offset corrected | * '''4''': purity about origin, offset corrected | ||
* 5: asynchronous, offset corrected | * '''5''': asynchronous, offset corrected | ||
===Examples=== | ===Examples=== | ||
:load data_mid_IR | :load data_mid_IR | ||
Revision as of 20:55, 2 September 2008
Purpose
Resolves correlation spectroscopy maps.
Synopsis
- [model] = corrspec(xspec,yspec,ncomp,options)
- [purintx,purinty,purspecx,purspecy,maps] = corrspec(xspec,yspec,idex,options)
- [purintx,purinty,purspecx,purspecy,maps] = corrspec(xspec,yspec,model,options)
Description
CORRSPEC resolves a correlation map of two spectroscopies into the maps of individual components, their associated resolved spectra and the contributions ("concentrations") of the components in the original mixture spectra.
INPUTS
- xspec : (2-way array class "double" or "dataset") x-matrix for dispersion matrix.
- yspec : (2-way array class "double" or "dataset") y-matrix for dispersion matrix.
- ncomp : (scalar or n x 2 matrix) if ncomp = scalar then function will calculate first n resolved pure purity components. If ncomp = n x 2 matrix, each row indicates the x and y position (index) to calculate the purity solution. If empty, the initial matrices will be calculated.
OUTPUTS
- purintx : resolved x contributions('concentrations').
- purinty : resolved y contributions('concentrations').
- purspecx : resolved x pure component spectra.
- purspecy : resolved y pure component spectra.
- map : cell with ncomp resolved dispersion matrixes, each with
- size: size(yspec,2)\*size(xspec,2)
- model : standard model structure, used for prediction (same pure variables on other data set) and add components to the model. The series of correlation maps resulting from the sequential elimination of components is stored in the field detail.matrix. See function corrspecengine for detailed description of matrix. The series of resolved correlation maps is stored in field detail.maps. Once a model has been calculated it can be used to predict x spectra from y spectra and vice versa.
Options
- plots_spectra : ['off'|{'on'}] governs level of plotting for spectra.
- plots_maps : ['off'|{'on'}] governs level of plotting for maps.
- offset : noise correction factor. One element defines offset for both x and y, two elements separately for x and y.
- inactivate : [ ] logical matrix of indices not to be used in purity calculation.
- dispersion : [1] See max (below).
- max : [3] If not given, only weight matrix will be calculated, otherwise select one of the options below:
- 1: standardized, offset corrected
- 2: length sqrt(nrows), offset corrected
- 3: purity about mean, offset corrected
- 4: purity about origin, offset corrected
- 5: asynchronous, offset corrected
Examples
- load data_mid_IR
- load data_near_IR
- corrspec(data_mid_IR,data_near_IR,4)