Description Usage Arguments Details Value
View source: R/curveFit_utils.R
Fit different curve models using minpack
. Fitting
parameters can be passed or guessed.
1 | fitCurve(x, y, curveModel = "skewedGaussian", params = "guess")
|
x |
(numeric) x values (e.g. retention time) |
y |
(numeric) y observed values (e.g. spectra intensity) |
curveModel |
(str) name of the curve model to fit (currently
|
params |
(list or str) either 'guess' for automated parametrisation or
list of initial parameters ( |
## Examples cannot be computed as the function is not exported: ## x is retention time, y corresponding intensity input_x <- c(3362.102, 3363.667, 3365.232, 3366.797, 3368.362, 3369.927, 3371.492, 3373.057, 3374.622, 3376.187, 3377.752, 3379.317, 3380.882, 3382.447, 3384.012, 3385.577, 3387.142, 3388.707, 3390.272, 3391.837, 3393.402, 3394.966, 3396.531, 3398.096, 3399.661, 3401.226, 3402.791, 3404.356, 3405.921, 3407.486, 3409.051) input_y <- c(51048, 81568, 138288, 233920, 376448, 557288, 753216, 938048, 1091840, 1196992, 1261056, 1308992, 1362752, 1406592, 1431360, 1432896, 1407808, 1345344, 1268480, 1198592, 1126848, 1036544, 937600, 849792, 771456, 692416, 614528, 546088, 492752, 446464, 400632)
## Fit fitted_curve <- fitCurve(input_x, input_y, curveModel='skewedGaussian', params='guess')
## Returns the optimal fitting parameters fitted_curve # # $amplitude # [1] 275371.1 # # $center # [1] 3382.577 # # $sigma # [1] 0.07904697 # # $gamma # [1] 0.001147647 # # $fitStatus # [1] 2 # # $curveModel # [1] 'skewedGaussian' # # attr(,'class') # [1] 'peakPantheR_curveFit'
A 'peakPantheR_curveFit': a list of fitted curve parameters,
fitStatus
from nls.lm$info
and curve shape name
curveModel
. fitStatus=0
unsuccessful completion: improper input
parameters, fitStatus=1
successful completion: first convergence test
is successful, fitStatus=2
successful completion: second convergence
test is successful, fitStatus=3
successful completion: both
convergence test are successful, fitStatus=4
questionable completion:
third convergence test is successful but should be carefully examined
(maximizers and saddle points might satisfy), fitStatus=5
unsuccessful
completion: excessive number of function evaluations/iterations
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.