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Update to 1.0.5
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mottensmann committed Jun 19, 2022
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Expand Up @@ -42,7 +42,7 @@ The latest release v1.0.3 is on `CRAN`. [Click here](https://github.com/mottensm
install.packages("GCalignR", dependencies = T)
```

*The current developmental version 1.0.4 is available on GitHub*
*The current developmental version 1.0.5 is available on GitHub*

```{r, eval=FALSE}
if (!("devtools" %in% rownames(installed.packages()))) {
Expand Down Expand Up @@ -78,7 +78,7 @@ aligned <- align_chromatograms(data = peak_data[1:10], # list of data frame
min_diff_peak2peak = 0.08)
```

**The parameter values above differ from the defaults shown in the paper and the package vignette. In a nutshell, we now suggest in most cases to set `max_diff_peak2mean = 0`. This way peaks are first simply sorted based on the given retention time value and then purely `min_diff_peak2peak` specifies which peaks will be evaluated for a merge. Additionally, this enables the possibility for a considerable boost in computation speed of the first alginment steps (available since version 1.0.4, currently only on GitHub!)**
**The parameter values above differ from the defaults shown in the paper and the package vignette. In a nutshell, we now suggest in most cases to set `max_diff_peak2mean = 0`. This way peaks are first simply sorted based on the given retention time value and then purely `min_diff_peak2peak` specifies which peaks will be evaluated for a merge. Additionally, this enables the possibility for a considerable boost in computation speed of the first alignment steps (available since version 1.0.5, currently only on GitHub!)**

If you encounter bugs or if you have any suggestions for improvement (for instance on how to speed up the algorithm!), just contact meinolf.ottensmann[at]web.de

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