Update README and add CITATION file

DESCRIPTION

@@ -1,6 +1,6 @@
 Package: xcmsTutorials
 Title: Exploring and Analyzing LC-MS data with Spectra and xcms
-Version: 1.1.1
+Version: 1.1.2
 Authors@R: c(
 	     person(given = "Johannes", family = "Rainer",
 		    email = "[email protected]",

NEWS.md

@@ -1,4 +1,8 @@
-# xcmsTutorials 1.0
+# xcmsTutorials 1.1
+
+## Changes in 1.1.2
+
+- Add citation information to the README and the package.
 
 ## Changes in 1.1.1
 
@@ -9,14 +13,16 @@
 
 ## Changes in 1.1.0
 
-- Release the tutorial to Zenodo.
+- Release the tutorial to Zenodo: https://doi.org/10.5281/zenodo.11185521
 - Use Bioconductor 3.19 release docker image and packages.
 - Add examples for simple quality assessment of BPC or BPS data.
 - Introduce parameter `ppm` for `PeakDensityParam` correspondence analysis
   method.
 - Add an additional section for extraction of chromatographic or spectra data
   for identified chromatographic peaks and perform isotopologue search in these.
 
+# xcmsTutorials 1.0
+
 ## Changes in 1.0.4
 
 - Use the Bioconductor 3.18 release docker image.
@@ -52,7 +58,6 @@
 
 - Add requirements for `xcms` and `Spectra` packages as well as R version.
 
-
 # xcmsTutorials 0.2
 
 ## Changes in xcmsTutorials 0.2.0

README.md

@@ -46,6 +46,16 @@ generate the html file
 [xcms-preprocessing.html](https://jorainer.github.io/xcmsTutorials/xcms-preprocessing.html).
 
 
+## Citation
+
+This workflow (and future versions) are deposited at
+[Zenodo](https://zenodo.org). To cite this version of the tutorial:
+
+Johannes Rainer and Philippine Louil. xcmsTutorials version 1.1.0: Exploring and
+analyzing LC-MS data with Spectra and xcms. Zenodo, May
+13, 2024. https://doi.org/10.5281/zenodo.11185521.
+
+
 ## Installation
 
 The workshop files along with an R runtime environment including all required

inst/CITATION

@@ -0,0 +1,19 @@
+citHeader("To cite this workflow:")
+
+citEntry(entry = "Manual",
+         title  = "xcmsTutorials: Exploring and analyzing LC-MS data with Spectra and xcms",
+         author = personList(
+           person(given = "Johannes", family = "Rainer"),
+           person(given = "Philippine", family = "Louail")
+         ),
+         publisher = "Zenodo",
+         year = "2024",
+         month = "may",
+         version = "v1.1.0",
+         doi = "10.5281/zenodo.11185521",
+         url = "https://doi.org/10.5281/zenodo.11185521",
+         textVersion = paste0("Johannes Rainer, & Philippine Louail. (2024). ",
+                              "xcmsTutorials version 1.1.0: Exploring and ",
+                              "analyzing LC-MS data with Spectra and xcms. ",
+                              "Zenodo. https://doi.org/10.5281/zenodo.11185521")
+         )