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我試圖將兩個高斯峯,以我的密度圖數據,使用下面的代碼:R:配件高斯峯密度圖數據使用NLS
model <- function(coeffs,x)
{
(coeffs[1] * exp(- ((x-coeffs[2])/coeffs[3])**2))
}
y_axis <- data.matrix(den.PA$y)
x_axis <- data.matrix(den.PA$x)
peak1 <- c(1.12e-2,1075,2) # guess for peak 1
peak2 <- c(1.15e-2,1110,2) # guess for peak 2
peak1_fit <- model(peak1,den.PA$x)
peak2_fit <- model(peak2,den.PA$x)
total_peaks <- peak1_fit + peak2_fit
err <- den.PA$y - total_peaks
fit <- nls(y_axis~coeffs2 * exp(- ((x_axis-coeffs3)/coeffs4)**2),start=list(coeffs2=1.12e-2, coeffs3=1075, coeffs4=2))
fit2<- nls(y_axis~coeffs2 * exp(- ((x_axis-coeffs3)/coeffs4)**2),start=list(coeffs2=1.15e-2, coeffs3=1110, coeffs4=2))
fit_coeffs = coef(fit)
fit2_coeffs = coef(fit2)
a <- model(fit_coeffs,den.PA$x)
b <- model(fit2_coeffs,den.PA$x)
plot(den.PA, main="Cytochome C PA", xlab= expression(paste("Collision Cross-Section (", Å^2, ")")))
lines(results2,a, col="red")
lines(results2,b, col="blue")
這給了我下面的情節:
這是我的問題所在。我計算彼此獨立的擬合,並將高斯峯疊加在彼此之上。我需要將err
變量提供給nls
,該變量應該返回6個coeffs,然後我可以重新建模高斯峯值以適合該圖。
最後沒有必要通過err變量 – Harpal 2012-04-19 15:32:55
如果任何人都可以想出一個更優雅的解決方案,我會很樂意接受他們的答案 – Harpal 2012-04-24 21:27:23