diff --git a/.Rbuildignore b/.Rbuildignore index 40f7f3d02d855fc110e86d97822aab029539f082..99b26c0730c4eba1d039282415cd41244d6abbfe 100644 --- a/.Rbuildignore +++ b/.Rbuildignore @@ -7,3 +7,4 @@ ^LICENSE\.txt$ ^\.gitlab$ ^\.gitlab-ci\.yml$ +^data-raw$ diff --git a/.gitlab/merge_request_templates/merge_into_master.md b/.gitlab/merge_request_templates/merge_into_master.md index 7790e4ce5a82729fd643cca17afd7d300853130e..b4b04c5f99ae06d5d6a9b37829c26675ef30e367 100644 --- a/.gitlab/merge_request_templates/merge_into_master.md +++ b/.gitlab/merge_request_templates/merge_into_master.md @@ -12,8 +12,8 @@ Comment on any notes that come up during devtools::check(). --> ### system details -* RStudio Version: * R Version: +* RStudio Version: * OS Version: ### checklist diff --git a/DESCRIPTION b/DESCRIPTION index a607fb54b4446f9e248b4f658837c817c3be7a3a..0afe62bc06305f34888ce2b00ea438f4b536016b 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,8 +1,8 @@ Package: stressaddition Type: Package -Title: Modeling Tri-Phasic Concentration-Response Relationships +Title: Modelling Tri-Phasic Concentration-Response Relationships Version: 3.0.0 -Date: 2020-05-07 +Date: 2020-05-18 Authors@R: c(person("Sebastian", "Henz", role = c("aut", "cre"), @@ -12,20 +12,24 @@ Authors@R: c(person("Sebastian", "Liess", role = "aut", comment = c(ORCID = "0000-0002-3321-8909")), + person("Naeem", + "Shahid", + role = "ctb", + comment = c(ORCID = "0000-0001-6581-1654")), person("Helmholtz-Zentrum fuer Umweltforschung GmbH - UFZ", - role = c("cph", "fnd"))) -Description: The implementation of the tri-phasic concentration-response model - introduced in "Predicting low-concentration effects of pesticides" by - Liess, Henz and Knillmann (2019) <doi: 10.1038/s41598-019-51645-4>. It - allows modeling of ecotoxicological experiments where the response shows - signs of hormesis. + role = c("cph"))) +Description: The stress addition approach is an alternative to the traditional + concentration addition or effect addition models. It allows the modelling + of tri-phasic concentration-response relationships either as single toxicant + experiments, in combination with an environmental stressor or as mixtures of + two toxicants. License: GPL-3 Copyright: file inst/COPYRIGHTS URL: https://git.ufz.de/oekotox/stressaddition Encoding: UTF-8 LazyData: true Depends: - R (> 3.5) + R (>= 3.5) Imports: drc (>= 3.0), plotrix diff --git a/NEWS.md b/NEWS.md index 413ddf9563b09d468fe45ebfef6aa82d6747c403..1422585239b1beed70fed21003379295b3ea2324 100644 --- a/NEWS.md +++ b/NEWS.md @@ -4,14 +4,17 @@ * Renamed all instances of "effect" to "survival". * Renamed all instances of "ec" to "lc". * Renamed `predict_mixture()`, which was a temporary development name, to `multi_tox()`. -* The argument `proportion_ca` in the mixture model `multi_tox()` was renamed and its value reversed. It is now called `sa_contribution` and specifies the proportion of stress addition in the calculation of toxicant stress. To convert your code from the old version use this equation: sa_contribution = 1 - proportion_ca. +* The argument `proportion_ca` in the mixture model `multi_tox()` was renamed and its value reversed. It is now called `sa_contribution` and specifies the proportion of stress addition in the calculation of toxicant stress. To convert your code from the old version use this equation: `sa_contribution = 1 - proportion_ca`. * Renamed `stress_tox_sam` to `stress_tox_sa` in the output of `multi_tox()`. ## Bugfixes * Fixed a bug where `plot_stress()` with argument `which = NULL` would result in an error. Now it correctly draws the axes without data. +* Fixed some errors in the documentation and improved the examples. ## New -* Exporte function `log10_ticks()` for calculating tick mark labels and positions on a base 10 logarithmic axis. +* Export function `log10_ticks()` for calculating tick mark labels and positions on a base 10 logarithmic axis. +* Add example data set `multiple_stress` for use with `multi_tox()`. +* Various minor changes to prepare for CRAN submission. # stressaddition 2.7.0 diff --git a/R/data.R b/R/data.R new file mode 100644 index 0000000000000000000000000000000000000000..eb8c1d8bd4dd1f2dbc27b45a6fa0bc299362c0f9 --- /dev/null +++ b/R/data.R @@ -0,0 +1,46 @@ +# Copyright (C) 2020 Helmholtz-Zentrum fuer Umweltforschung GmbH - UFZ +# See file inst/COPYRIGHTS for details. +# +# This file is part of the R package stressaddition. +# +# stressaddition is free software: you can redistribute it and/or modify +# it under the terms of the GNU General Public License as published by +# the Free Software Foundation, either version 3 of the License, or +# (at your option) any later version. +# +# This program is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +# GNU General Public License for more details. +# +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <https://www.gnu.org/licenses/>. + + +# Documentation for all included data sets. + + +#' Survival of Daphnia magna exposed to multiple stressors +#' +#' A data set of mixture toxicity experiments. Individuals of Daphnia magna were +#' exposed to combinations of food stress and multiple concentrations of the +#' pesticides esfenvalerate and prochloraz. The survival was recorded at 21 days +#' after contamination. +#' +#' @format A data frame with 58 rows and 4 variables: +#' \describe{ +#' \item{food}{The amount of food in percent.} +#' \item{esfenvalerate}{The concentration of esfenvalerate in µg/L.} +#' \item{prochloraz}{The concentration of prochloraz in µg/L.} +#' \item{survival}{The mean survival in percent.} +#' } +#' +#' @source +#' \href{https://doi.org/10.1021/acs.est.9b04293}{Shahid, N., Liess, M., +#' Knillmann, S., 2019. Environmental Stress Increases Synergistic Effects +#' of Pesticide Mixtures on Daphnia magna. Environ. Sci. Technol. 53, +#' 12586–12593.} +#' +#' Liess, M., Henz, S., Shahid, N., 2020. Modelling the synergistic effects +#' of toxicant mixtures. Manuscript submitted for publication. +"multiple_stress" diff --git a/R/multi_tox.R b/R/multi_tox.R index 882c069856d690d634b8ed1ce1d5f376eae06098..97ae971924e26d36c6e8ca07f34c87d46583c292 100644 --- a/R/multi_tox.R +++ b/R/multi_tox.R @@ -24,11 +24,12 @@ #' details. #' #' The predictions are symmetric, i.e. it does not matter which of the toxicant -#' models is 1 or 2 as long as the concentration arguments are supplied in the -#' right order. See the example below. +#' models is a or b as long as the concentration arguments are supplied in the +#' same order. #' -#' This method is only suitable for experiments without environmental stress. -#' Any environmental stress in \code{model_a} or \code{model_b} is ignored. +#' This method is only suitable for experiments without or with low +#' environmental stress. Any environmental stress supplied as arguments to +#' \code{\link{ecxsys}} in \code{model_a} or \code{model_b} is ignored. #' #' @param model_a,model_b The ecxsys models of the toxicants. #' @param concentration_a,concentration_b The concentrations of the toxicants in @@ -45,31 +46,48 @@ #' @return A data frame with columns of the supplied concentrations and the #' corresponding mixture survival and stresses. #' -#' @examples toxicant_a <- ecxsys( -#' concentration = c(0, 0.05, 0.5, 5, 30), -#' hormesis_concentration = 0.5, -#' survival_tox_observed = c(90, 81, 92, 28, 0), +#' @examples +#' # Using a data set which is included in this package. See ?multiple_stress +#' ms <- multiple_stress +#' esfen <- ms[ms$food == 1 & ms$prochloraz == 0, ] +#' proch <- ms[ms$food == 1 & ms$esfenvalerate == 0, ] +#' +#' model_esfen <- ecxsys( +#' concentration = esfen$esfenvalerate, +#' survival_tox_observed = esfen$survival, +#' hormesis_concentration = 0.1 #' ) -#' toxicant_b <- ecxsys( -#' concentration = c(0, 0.1, 1, 10, 100, 1000), -#' hormesis_concentration = 10, -#' survival_tox_observed = c(26, 25, 24, 27, 5, 0), -#' survival_max = 30 +#' model_proch <- ecxsys( +#' concentration = proch$prochloraz, +#' survival_tox_observed = proch$survival, +#' hormesis_concentration = 100 #' ) -#' multi_tox( -#' toxicant_a , -#' toxicant_b , -#' c(0, 0.02, 0.2, 2, 20), -#' c(0, 0.03, 0.4, 5, 10) +#' +#' # Predict the survival at 8 different esfenvalerate concentrations +#' # but keep the prochloraz concentration constant at 32: +#' mt <- multi_tox( +#' model_esfen, +#' model_proch, +#' c(0, 0.0001, 0.001, 0.01, 0.1, 0.316, 1, 3.16), +#' 32, +#' sa_contribution = 0.8 #' ) +#' mt[1:3] # The concentrations and survival of the 8 mixtures. +#' +#' # Predict the survival at 4 different combinations +#' # of esfenvalerate and prochloraz: +#' mt <- multi_tox( +#' model_esfen, +#' model_proch, +#' c(0.1, 0.2, 0.3, 0.4), +#' c(0, 1, 32, 100), +#' sa_contribution = 0.8 +#' ) +#' mt[1:3] # The concentrations and survival of the 4 mixtures. +#' #' -#' # Example of symmetric prediction: -#' conc_a <- c(0, 0.03, 0.3, 3) -#' conc_b <- 5.5 -#' sa_contrib <- 0.75 -#' mix_a <- multi_tox(toxicant_a , toxicant_b , conc_a, conc_b, sa_contrib) -#' mix_b <- multi_tox(toxicant_b , toxicant_a , conc_b, conc_a, sa_contrib) -#' identical(mix_a$survival, mix_b$survival) +#' @references Liess, M., Henz, S., Shahid, N., 2020. Modelling the synergistic +#' effects of toxicant mixtures. Manuscript submitted for publication. #' #' @export multi_tox <- function(model_a, diff --git a/R/plot_ecxsys.R b/R/plot_ecxsys.R index f0d9c0fe98259724df37fd854e2df0d20bee25de..6d1ec9e34451680935058371829b96bd8f0c268d 100644 --- a/R/plot_ecxsys.R +++ b/R/plot_ecxsys.R @@ -26,7 +26,7 @@ #' #' @name plot_ecxsys #' -#' @param model The list returned from \code{\link{ecxsys}}. +#' @param model The object returned from \code{\link{ecxsys}}. #' @param which A vector of names to plot. Allowed are the column names of the #' \code{model$curves} data frame. There is also #' \code{"survival_tox_observed"} and \code{"survival_tox_env_observed"} for diff --git a/R/stressaddition-package.R b/R/stressaddition-package.R index e36e1f8856acdd30f2d0970367a4e325360dd872..c761fcb32f8da660b4885c9c34d1778a9a0114a7 100644 --- a/R/stressaddition-package.R +++ b/R/stressaddition-package.R @@ -27,21 +27,21 @@ # description. -#' @details See the publication linked below for more information including -#' equations. +#' @details This R package contains the definitions of the +#' \link[=ecxsys]{ECx-SyS} model and the \link[=multi_tox]{Multi-TOX} model. +#' See the publications linked below for more information including equations. #' -#' In the paper the model is introduced in the context of survival -#' experiments. However, we conjecture that it can also be used to model -#' other concentration dependent responses. -#' -#' This package is not on CRAN. It is hosted on the UFZ GitLab server. Visit -#' the repository linked below for the newest version. See the readme file -#' there for instructions on how to install and update the package. +#' Author contributions: M. Liess conceived the ECx-SyS and Multi-TOX models. +#' S. Henz developed this R package. N. Shahid contributed to the optimization +#' of the Multi-TOX model and provided the \link{multiple_stress} data set. #' #' @references \href{https://doi.org/10.1038/s41598-019-51645-4}{Liess, M., #' Henz, S. & Knillmann, S. Predicting low-concentration effects of #' pesticides. Sci Rep 9, 15248 (2019).} #' +#' Liess, M., Henz, S., Shahid, N., 2020. Modelling the synergistic effects of +#' toxicant mixtures. Manuscript submitted for publication. +#' #' @import stats #' @import graphics #' @import grDevices diff --git a/README.md b/README.md index 0a1c02a52fd5754c440434f537227346c2861711..b92fa6f9c2171c83e1872a05939b02a1ffb1b4f1 100644 --- a/README.md +++ b/README.md @@ -5,7 +5,7 @@ This is the R implementation of the tri-phasic concentration-response model intr The EC<sub>x-SyS</sub> and Multi-TOX models from this package are also available as part of the [Indicate app](http://www.systemecology.eu/indicate) which offers a graphical user interface. ## Installation -Stressaddition is not yet on CRAN. You can install the most recent stable version from GitLab using the remotes package: +Stressaddition is not yet on CRAN. You can install the most recent development version from GitLab using the remotes package: ``` r install.packages("remotes") remotes::install_gitlab("oekotox/stressaddition", host = "git.ufz.de") diff --git a/data-raw/multiple_stress.R b/data-raw/multiple_stress.R new file mode 100644 index 0000000000000000000000000000000000000000..856f0e8c1e518166287af5f20e0ad1c30b0d53ee --- /dev/null +++ b/data-raw/multiple_stress.R @@ -0,0 +1,23 @@ +# Copyright (C) 2020 Helmholtz-Zentrum fuer Umweltforschung GmbH - UFZ +# See file inst/COPYRIGHTS for details. +# +# This file is part of the R package stressaddition. +# +# stressaddition is free software: you can redistribute it and/or modify +# it under the terms of the GNU General Public License as published by +# the Free Software Foundation, either version 3 of the License, or +# (at your option) any later version. +# +# This program is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +# GNU General Public License for more details. +# +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <https://www.gnu.org/licenses/>. + + +# This script prepares the esfenvalerate-prochloraz-food data for packaging. + +multiple_stress <- read.csv("data-raw/multiple_stress.csv") +usethis::use_data(multiple_stress) diff --git a/data-raw/multiple_stress.csv b/data-raw/multiple_stress.csv new file mode 100644 index 0000000000000000000000000000000000000000..1221185a97012135b6bb21d64c104d38187e18c2 --- /dev/null +++ b/data-raw/multiple_stress.csv @@ -0,0 +1,59 @@ +"food","esfenvalerate","prochloraz","survival" +1,0,0,84.44 +1,0,1,55.56 +1,0,32,53.33 +1,0,100,48.89 +1,0,1000,0 +1,1e-04,0,73.33 +1,1e-04,1,60 +1,1e-04,32,40 +1,1e-04,100,20 +1,0.001,0,66.67 +1,0.001,1,50 +1,0.001,32,26.67 +1,0.001,100,16.67 +1,0.01,0,53.33 +1,0.01,1,33.33 +1,0.01,32,23.33 +1,0.01,100,0 +1,0.1,0,46.67 +1,0.1,1,31.11 +1,0.1,32,16.67 +1,0.1,100,6.67 +1,0.316,0,20 +1,0.316,1,8.89 +1,0.316,32,0 +1,0.316,100,0 +1,1,0,0 +1,1,1,0 +1,1,32,0 +1,1,100,0 +1,3.16,0,0 +1,3.16,1,0 +1,3.16,32,0 +1,3.16,100,0 +100,0,0,93.33 +100,0,1,93.33 +100,0,32,88.89 +100,0,100,88.89 +100,0,3200,0 +100,0.001,0,93.33 +100,0.001,1,93.33 +100,0.001,32,84.44 +100,0.001,100,80 +100,0.1,0,80 +100,0.1,1,80 +100,0.1,32,66.67 +100,0.1,100,62.22 +100,0.316,0,55.56 +100,0.316,1,64.44 +100,0.316,32,28.89 +100,0.316,100,35.56 +100,1,0,31.11 +100,1,1,31.11 +100,1,32,0 +100,1,100,6.67 +100,3.16,0,0 +100,3.16,1,0 +100,3.16,32,0 +100,3.16,100,0 diff --git a/data/multiple_stress.rda b/data/multiple_stress.rda new file mode 100644 index 0000000000000000000000000000000000000000..5c2867452cbaabcf96d3fbdf0dd23a9d98f36087 Binary files /dev/null and b/data/multiple_stress.rda differ diff --git a/man/multi_tox.Rd b/man/multi_tox.Rd index ebd17c4123aab74b77c86f59bdf3f6ab8fabd00a..7abbb9fd1f38b4ab7559e596f676fd4bc1cae8aa 100644 --- a/man/multi_tox.Rd +++ b/man/multi_tox.Rd @@ -40,37 +40,55 @@ details. } \details{ The predictions are symmetric, i.e. it does not matter which of the toxicant -models is 1 or 2 as long as the concentration arguments are supplied in the -right order. See the example below. +models is a or b as long as the concentration arguments are supplied in the +same order. -This method is only suitable for experiments without environmental stress. -Any environmental stress in \code{model_a} or \code{model_b} is ignored. +This method is only suitable for experiments without or with low +environmental stress. Any environmental stress supplied as arguments to +\code{\link{ecxsys}} in \code{model_a} or \code{model_b} is ignored. } \examples{ -toxicant_a <- ecxsys( - concentration = c(0, 0.05, 0.5, 5, 30), - hormesis_concentration = 0.5, - survival_tox_observed = c(90, 81, 92, 28, 0), +# Using a data set which is included in this package. See ?multiple_stress +ms <- multiple_stress +esfen <- ms[ms$food == 1 & ms$prochloraz == 0, ] +proch <- ms[ms$food == 1 & ms$esfenvalerate == 0, ] + +model_esfen <- ecxsys( + concentration = esfen$esfenvalerate, + survival_tox_observed = esfen$survival, + hormesis_concentration = 0.1 ) -toxicant_b <- ecxsys( - concentration = c(0, 0.1, 1, 10, 100, 1000), - hormesis_concentration = 10, - survival_tox_observed = c(26, 25, 24, 27, 5, 0), - survival_max = 30 +model_proch <- ecxsys( + concentration = proch$prochloraz, + survival_tox_observed = proch$survival, + hormesis_concentration = 100 ) -multi_tox( - toxicant_a , - toxicant_b , - c(0, 0.02, 0.2, 2, 20), - c(0, 0.03, 0.4, 5, 10) + +# Predict the survival at 8 different esfenvalerate concentrations +# but keep the prochloraz concentration constant at 32: +mt <- multi_tox( + model_esfen, + model_proch, + c(0, 0.0001, 0.001, 0.01, 0.1, 0.316, 1, 3.16), + 32, + sa_contribution = 0.8 ) +mt[1:3] # The concentrations and survival of the 8 mixtures. + +# Predict the survival at 4 different combinations +# of esfenvalerate and prochloraz: +mt <- multi_tox( + model_esfen, + model_proch, + c(0.1, 0.2, 0.3, 0.4), + c(0, 1, 32, 100), + sa_contribution = 0.8 +) +mt[1:3] # The concentrations and survival of the 4 mixtures. -# Example of symmetric prediction: -conc_a <- c(0, 0.03, 0.3, 3) -conc_b <- 5.5 -sa_contrib <- 0.75 -mix_a <- multi_tox(toxicant_a , toxicant_b , conc_a, conc_b, sa_contrib) -mix_b <- multi_tox(toxicant_b , toxicant_a , conc_b, conc_a, sa_contrib) -identical(mix_a$survival, mix_b$survival) } +\references{ +Liess, M., Henz, S., Shahid, N., 2020. Modelling the synergistic + effects of toxicant mixtures. Manuscript submitted for publication. +} diff --git a/man/multiple_stress.Rd b/man/multiple_stress.Rd new file mode 100644 index 0000000000000000000000000000000000000000..8667622d5138803f6d0c1c33163ac7dad14ea3ea --- /dev/null +++ b/man/multiple_stress.Rd @@ -0,0 +1,34 @@ +% Generated by roxygen2: do not edit by hand +% Please edit documentation in R/data.R +\docType{data} +\name{multiple_stress} +\alias{multiple_stress} +\title{Survival of Daphnia magna exposed to multiple stressors} +\format{ +A data frame with 58 rows and 4 variables: +\describe{ + \item{food}{The amount of food in percent.} + \item{esfenvalerate}{The concentration of esfenvalerate in µg/L.} + \item{prochloraz}{The concentration of prochloraz in µg/L.} + \item{survival}{The mean survival in percent.} +} +} +\source{ +\href{https://doi.org/10.1021/acs.est.9b04293}{Shahid, N., Liess, M., + Knillmann, S., 2019. Environmental Stress Increases Synergistic Effects + of Pesticide Mixtures on Daphnia magna. Environ. Sci. Technol. 53, + 12586–12593.} + + Liess, M., Henz, S., Shahid, N., 2020. Modelling the synergistic effects + of toxicant mixtures. Manuscript submitted for publication. +} +\usage{ +multiple_stress +} +\description{ +A data set of mixture toxicity experiments. Individuals of Daphnia magna were +exposed to combinations of food stress and multiple concentrations of the +pesticides esfenvalerate and prochloraz. The survival was recorded at 21 days +after contamination. +} +\keyword{datasets} diff --git a/man/plot_ecxsys.Rd b/man/plot_ecxsys.Rd index 0cb31872ffcfee6f422434dd9080bec103211afd..d5c09b0a90d2d9991fb4f8a37617ad5e04101718 100644 --- a/man/plot_ecxsys.Rd +++ b/man/plot_ecxsys.Rd @@ -26,7 +26,7 @@ plot_survival( ) } \arguments{ -\item{model}{The list returned from \code{\link{ecxsys}}.} +\item{model}{The object returned from \code{\link{ecxsys}}.} \item{which}{A vector of names to plot. Allowed are the column names of the \code{model$curves} data frame. There is also diff --git a/man/stressaddition-package.Rd b/man/stressaddition-package.Rd index 9908ceab70334e3b823a45d0baebd21eccbbaa02..795b1eea48463eb5d0f68d2d6295a164542695bd 100644 --- a/man/stressaddition-package.Rd +++ b/man/stressaddition-package.Rd @@ -4,30 +4,30 @@ \name{stressaddition-package} \alias{stressaddition} \alias{stressaddition-package} -\title{stressaddition: Modeling Tri-Phasic Concentration-Response Relationships} +\title{stressaddition: Modelling Tri-Phasic Concentration-Response Relationships} \description{ -The implementation of the tri-phasic concentration-response model - introduced in "Predicting low-concentration effects of pesticides" by - Liess, Henz and Knillmann (2019) <doi: 10.1038/s41598-019-51645-4>. It - allows modeling of ecotoxicological experiments where the response shows - signs of hormesis. +The stress addition approach is an alternative to the traditional + concentration addition or effect addition models. It allows the modelling + of tri-phasic concentration-response relationships either as single toxicant + experiments, in combination with an environmental stressor or as mixtures of + two toxicants. } \details{ -See the publication linked below for more information including - equations. +This R package contains the definitions of the + \link[=ecxsys]{ECx-SyS} model and the \link[=multi_tox]{Multi-TOX} model. + See the publications linked below for more information including equations. - In the paper the model is introduced in the context of survival - experiments. However, we conjecture that it can also be used to model - other concentration dependent responses. - - This package is not on CRAN. It is hosted on the UFZ GitLab server. Visit - the repository linked below for the newest version. See the readme file - there for instructions on how to install and update the package. + Author contributions: M. Liess conceived the ECx-SyS and Multi-TOX models. + S. Henz developed this R package. N. Shahid contributed to the optimization + of the Multi-TOX model and provided the \link{multiple_stress} data set. } \references{ \href{https://doi.org/10.1038/s41598-019-51645-4}{Liess, M., Henz, S. & Knillmann, S. Predicting low-concentration effects of pesticides. Sci Rep 9, 15248 (2019).} + + Liess, M., Henz, S., Shahid, N., 2020. Modelling the synergistic effects of + toxicant mixtures. Manuscript submitted for publication. } \seealso{ Useful links: @@ -46,7 +46,8 @@ Authors: Other contributors: \itemize{ - \item Helmholtz-Zentrum fuer Umweltforschung GmbH - UFZ [copyright holder, funder] + \item Naeem Shahid (\href{https://orcid.org/0000-0001-6581-1654}{ORCID}) [contributor] + \item Helmholtz-Zentrum fuer Umweltforschung GmbH - UFZ [copyright holder] } }