simu2data.m

化学计量学中利用信息上进行分辨的程序！用到了pso优化算法！可以得到很真实的光谱！

function SIMU2DATA

%simulate a 2-way data (matrix)
%chrom is a matrix with peak height,peak position and peak variance of several chromatography peaks
%such as chrom =[1 20 1;1.5 40 0.8;2 70 1.2]

%[x1,y1]=simu1da(3,14,[1 1 1],[25 39 33],[7 7 8],[.5 .6 .7],[42 59 64],[8 7.6 9],.02,c);
%h=[0.7 0.3  ];
%cen=[45 42  ];
%sgm=[10 4  ];
%h1=[1 1    ];
%h2=[.5 .6   ];
%cen1=[25 39   ];
%cen2=[42 59  ];
%sgm1=[7 5     ];
%sgm2=[8 7.6  ];
%noise=0.01;
%num_t=100;
%num_w=100;
%%%parameter of 2_way data%%%%%%%%%%%%%%%%%%%%%%%%%%%
h = [ 1     1     1     1     1];
%cen =[20    20    20    20    20];
sgm =[4 4 4 4 4];
h1 =[ 1.0000    1.0000    1.0000    0.6000    0.3000];
cen1 = [25    39    33    19    30];
sgm1 = [ 7.0000    7.0000    8.0000    9.0000    8.8000];
h2 =[ 0.5000    0.6000    0.7000    1.0000    1.0000];
cen2 = [42    59    64    40    50];
sgm2 = [8.0000    7.6000    9.0000    6.0000    8.1000];
noise = 0.0200;
num_w = 80;
num_t =200;

%%%%%chromatograpy peaks'postion%%%%%%%%%%%%%%%%%%%% 
%cen=[35    45    55   65   75 ]; 
%cen=[35    50    65   80   95 ];  
cen=[35   37   45    69    75] ;  
%cen=[35   60    85    110    135] ;    
%cen=[35    65    95    125    155]  ;     
%cen=[35    68    101   134   165 ] ;   
%cen=[35    69    103   137   171 ]  ;
%cen=[35    72    109    146    183 ] ; 
 
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
m=size(h,2);
n=size(h1,2);
if m~=n
    errordlg('色谱和光谱对应的组分数（即谱峰数目）必须相等！');return;
end
m=size(cen,2);
n=size(cen1,2);
if m~=n
    errordlg('色谱和光谱对应的组分数（即谱峰数目）必须相等！');return;
end
m=size(sgm,2);
n=size(sgm1,2);
if m~=n
    errordlg('色谱和光谱对应的组分数（即谱峰数目）必须相等！');return;
end

%xmax1=round(1.2*max(chrom(:,2)));
%xmax2=round(1.2*max(spec(:,2)));
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

%%%simulation programme%%%%%%%%%%%%%%%%%%%%%%%%%%%%
t=1:80;
for i=1:m
    for j=1:num_t
        yij(i,j)=h(i)*exp(-(j-cen(i))^2/(2*sgm(i)^2));
    end
end
purechromy=yij';



for i=1:n
   for j=1:num_w
      x(j,i)=h1(i)*exp(-(j-cen1(i))^2/(2*sgm1(i)^2))+h2(i)*exp(-(j-cen2(i))^2/(2*sgm2(i)^2));
   end
end

simuspecy=x;
purespecy=simuspecy;
y=yij'*simuspecy';%%%a 2_way data without noise%%%
%y=y+max(max(y))*randn([num_t,num_w])*noise;%%%with noise

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%save the 2_way data%%%%%%%%%%%%%%%%
X=y;
save X.mat
%save ('D:\MATLAB6p5\work\data\X','X','-mat');
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
plot(purespecy);
xlabel('spectral scan point');
ylabel('absorption A');