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| author | Johannes Ranke <johannes.ranke@jrwb.de> | 2018-09-13 23:50:21 +0200 |
|---|---|---|
| committer | Johannes Ranke <johannes.ranke@jrwb.de> | 2018-09-13 23:50:21 +0200 |
| commit | a5e2712cafd57239f69d58b8c7f16a1b2f4b7490 (patch) | |
| tree | f8d4c46df6b0b9c4a32ea0cdc90cf21d719bf57b /R/mkinfit.R | |
| parent | 7dd447599435337f47d4fd9505187033681fde76 (diff) | |
| parent | feef7146a86b0e1b733b6df1df1420dd11101474 (diff) | |
Merge branch 'master' of jrwb.de:mkin
Diffstat (limited to 'R/mkinfit.R')
| -rw-r--r-- | R/mkinfit.R | 27 |
1 files changed, 20 insertions, 7 deletions
diff --git a/R/mkinfit.R b/R/mkinfit.R index 92b455f7..ecbef67e 100644 --- a/R/mkinfit.R +++ b/R/mkinfit.R @@ -37,7 +37,7 @@ mkinfit <- function(mkinmod, observed, transform_fractions = TRUE,
plot = FALSE, quiet = FALSE,
err = NULL,
- weight = c("none", "std", "mean", "tc"),
+ weight = c("none", "manual", "std", "mean", "tc"),
tc = c(sigma_low = 0.5, rsd_high = 0.07),
scaleVar = FALSE,
atol = 1e-8, rtol = 1e-10, n.outtimes = 100,
@@ -415,10 +415,17 @@ mkinfit <- function(mkinmod, observed, # We need unweighted residuals to update the weighting
cost_tmp <- cost(fit$par)
- tc_fit <- nls(abs(res.unweighted) ~ sigma_twocomp(obs, sigma_low, rsd_high),
- start = list(sigma_low = tc["sigma_low"], rsd_high = tc["rsd_high"]),
- data = cost_tmp$residuals,
- algorithm = "port")
+ tc_fit <- try(
+ nls(abs(res.unweighted) ~ sigma_twocomp(obs, sigma_low, rsd_high),
+ start = list(sigma_low = tc["sigma_low"], rsd_high = tc["rsd_high"]),
+ data = cost_tmp$residuals,
+ lower = 0,
+ algorithm = "port"))
+
+ if (inherits(tc_fit, "try-error")) {
+ stop("Estimation of the two error model components failed for the initial fit.\n",
+ "Try without reweighting or with reweight.method = 'obs'.")
+ }
tc_fitted <- coef(tc_fit)
if(!quiet) {
@@ -453,10 +460,16 @@ mkinfit <- function(mkinmod, observed, if (reweight.method == "tc") {
cost_tmp <- cost(fit$par)
- tc_fit <- nls(abs(res.unweighted) ~ sigma_twocomp(obs, sigma_low, rsd_high),
+ tc_fit <- try(nls(abs(res.unweighted) ~ sigma_twocomp(obs, sigma_low, rsd_high),
start = as.list(tc_fitted),
data = cost_tmp$residuals,
- algorithm = "port")
+ lower = 0,
+ algorithm = "port"))
+
+ if (inherits(tc_fit, "try-error")) {
+ stop("Estimation of the two error model components failed during reweighting.\n",
+ "Try without reweighting or with reweight.method = 'obs'.")
+ }
tc_fitted <- coef(tc_fit)
sr_new <- tc_fitted
|