国外的纯学术ppt，里面有些动画很是生动.ppt

background history,0. order data,1870s,x,x,5.2,2.6,6.8,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,background fluorescence,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,light source,sample,detector,excites sample,emitted from sample,background fluorescence,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,background fluorescence,x,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,background lf-nmr,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,n,detector,magnetic field,radio signal,sample,x,*) low field nuclear magnetic resonance,background lf-nmr *),background spectroscopy parafac fluorescence lf-nmr 2nd order summary,x,background lf-nmr: slicing *),background spectroscopy parafac fluorescence lf-nmr 2nd order summary,*) pedersen, bro & engelsen (2001) magnetic resonance in food science, 202-209,can be seen as an expansion of pca from two-way data to multi-way data,background parafac,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,background parafac,parafac i + j + k per factor,pca i + j k per factor,parafac fluorescence,=,a,b,c,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,parafac lf - nmr,=,a,b,c,background spectroscopy parafac fluorescence lf-nmr 2nd order summary,introduction fluorescence,make an automatic model for use with fluorescence data number of factors handling scatter effects practical aspect: missing values in the landscape,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,fluorescence # of factors,cross-validation,structure in loadings,split-half analysis,jack-knifing,a-priori knowledge,ratios,known samples,bootstrapping,new automatic method,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,rinnan & bro,# of factors data,fluorescence data 12 data set 10 samples in each 3-5 fluorophores in each sample analyzed by parafac 81 diagnostic tools models with increasing complexity,1,2,3,4,5,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,# of factors structure in loadings,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,# of factors ratio pca/parafac,parafac,pca,number of components,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,# of factors corcondia *),compare parafac and tucker3,background fluorescence # of factors light scatter practical lf-nmr 2nd order summary,number of components,*) bro & kiers (2003) j. of chemometrics, 274-286,# of factors uniqueness in landscapes,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,# of factors good vs. bad,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,# of factors good vs. bad,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,# of factors known samples,a-score 0.5 0 0 -2,emission wavelength (nm),excitation wavelength (nm),rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,f,f+2,factors,# of factors known samples,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,81,24,1,0,number of factors,times estimated,# of factors results,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,resultat,data set 1 2 3 4 5 6 7 8 9 10 11 12, ,good, ,catechol, ,rinnan & bro,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,fluorescence light scatter,excitation,emission,2nd order rayleigh,1st order rayleigh,raman,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,rinnan & andersen (2004),light scatter why a problem?,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter why a problem?,x,x,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter sample decomposition,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter handling scatter,subtraction of standard,cut off and insert missing,weights,modeling of rayleigh,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter why more than one method!?,the data presented so far is a bit simple sugar data,excitation,emission,1st order rayleigh,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter cutting off (hard weights),emission loadings,excitation loadings,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter weighting - miles,emission loadings,excitation loadings,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter band of missing values,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,rinnan & andersen (2004),band of missing values hard weights,emission loadings,excitation loadings,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,band of missing values weighting - miles,emission loadings,excitation loadings,rinnan & andersen (2004),background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter a novel method,the rayleigh scatter width has to be estimated quite accurately the band width of missing data should also be correct what about an automatic method of removing the rayleigh scatter, that was not so prone to the estimation of the width of the rayleigh scatter? modeling the rayleigh is the answer!,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,rinnan, booksh & bro,light scatter modeling rayleigh,a gauss-lorentz curve fitting method,rinnan, booksh & bro,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter modeling rayleigh,rinnan, booksh & bro,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter modeling rayleigh,rinnan, booksh & bro,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter fancy good,rinnan, booksh & bro,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,light scatter with constraints better,emission loadings,excitation loadings,rinnan, booksh & bro,background fluorescence # of factors light scatter band of nan modeling nan lf-nmr 2nd order summary,fluorescence missing values,can be treated with: letting parafac handle the missing values weighting the missing area down non-negativity constraints insertion of 0s into the matrix,thygesen, rinnan, barsberg & mller (2004): cehmolab, 71, p. 97-106,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,missing values alternatives,missing values,zeros,signal/ data area,thygesen, rinnan, barsberg & mller (2004): cehmolab, 71, p. 97-106,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,missing values results,thygesen, rinnan, barsberg & mller (2004): cehmolab, 71, p. 97-106,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,missing values results - landscapes,none,weighted,non-negativity,zeros,thygesen, rinnan, barsberg & mller (2004): cehmolab, 71, p. 97-106,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,missing values results - excitation,none,weighted,non-negativity,zeros,thygesen, rinnan, barsberg & mller (2004): cehmolab, 71, p. 97-106,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,missing values results - emission,none,weighted,non-negativity,zeros,thygesen, rinnan, barsberg & mller (2004): cehmolab, 71, p. 97-106,background fluorescence # of factors light scatter nan lf-nmr 2nd order summary,introduction lf-nmr,practical aspects of parafac and lf-nmr (slicing) correction of baseline classification prediction (semi 2nd order prediction),background fluorescence lf-nmr correction classification regression 2nd order summary,lf - nmr correction,background fluorescence lf-nmr correction classification regression 2nd order summary,andersen & rinnan (2002): lwt, 35, p. 687-696,correction residual,background fluorescence lf-nmr correction classification regression 2nd order summary,andersen & rinnan (2002): lwt, 35, p. 687-696,correction factors,background fluorescence lf-nmr correction classification regression 2nd order summary,andersen & rinnan (2002): lwt, 35, p. 687-696,correction method,background fluorescence lf-nmr correction classification regression 2nd order summary,andersen & rinnan (2002): lwt, 35, p. 687-696,correction corrected data,background fluorescence lf-nmr correction classification regression 2nd order summary,andersen & rinnan (2002): lwt, 35, p. 687-696,correction result - factors,background fluorescence lf-nmr correction classification regression 2nd order summary,andersen & rinnan (2002): lwt, 35, p. 687-696,lf-nmr classification,sensory data,lf-nmr,background fluorescence lf-nmr correction classification regression 2nd order summary,povlsen, rinnan, van den berg, andersen & thybo (2003): lwt, 36, p. 423-432,lf-nmr classification,pca and sensory,parafac and lf-nmr,background fluorescence lf-nmr correction classification regression 2nd order summary,povlsen, rinnan, van den berg, andersen & thybo (2003): lwt, 36, p. 423-432,lf-nmr regression,pls,slicing,background fluorescence lf-nmr correction classification regression 2nd order summary,rinnan (2003): ijas, 15, p. 393-402,lf-nmr regression,1-q2,background fluorescence lf-nmr correction classification regression 2nd order summary,rinnan (2003): ijas, 15, p. 393-402,introduction second order prediction,measured (r+g+b),predicted (yellow),calibration set,new samples,error,background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,rinnan, riu & bro (2004),second order prediction unfolding fluorescence,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,second order prediction pls vs parafac,unfold-pls,samples,excitation,the data - eem,samples,different excitations,emission,emission,emission,parafac,samples,emission,emission,excitation,samples + excitation emission,samples + excitation + emission,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,second order prediction data sets,calibration set,new samples,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,second order prediction pls vs parafac,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,second order prediction data sets with interferents,calibration set,new samples,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,second order prediction pls vs parafac,measured,predicted,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,second order prediction second order advantage,parafac,pls,catechol,hydroquinone,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,eem,new samples,eem,calibration set,second order prediction second order advantage,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,second order prediction alternatives,=,a,b,c,calibration,new samples,0,a,b,c,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,sop example,all simulated data 3 or 4 analytes in calibration set 3 interferents different kind of overlap between analytes and interferents four different noise levels 7, 4, 3 and 2 samples in the calibration set one or several samples in the test set 10 different noise additions 10 replicates,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd order advantage alternatives uncertainty summary,sop ex: results,analyzed by anova and pca two very bad methods two good methods,rinnan, riu & bro (2004),background fluorescence lf-nmr 2nd o