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yufree committed Jan 14, 2025
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1 change: 1 addition & 0 deletions NEWS.md
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# pmd 0.2.7

- CRAN
- Change URL to doi for citation

# pmd 0.2.6

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2 changes: 1 addition & 1 deletion R/data.R
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#' \item{exact_mass}{exact mass of contaminants}
#' \item{type_of_contaminant}{type of contaminant}
#' }
#' @source \url{https://academic.oup.com/bioinformatics/article/28/21/2856/236679}
#' @source \url{https://doi.org/10.1093/bioinformatics/bts527}
"MaConDa"

#' A peaks list dataset containing 9 samples from 3 fish with triplicates samples for each fish from LC-MS.
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4 changes: 2 additions & 2 deletions README.md
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- For MS only data such as FT-ICR or MS imaging data, check the section of "Reactomics analysis for MS only data" in Reactomics Analysis Tutorial or this blog [post](https://yufree.cn/en/2024/05/29/reactomics-analysis-for-ms-only-data/).

- [PMD analysis paper](https://www.sciencedirect.com/science/article/abs/pii/S0003267018313047). This paper proposed structure/reaction directed analysis with PMD.
- [PMD analysis paper](https://doi.org/10.1016/j.aca.2018.10.062). This paper proposed structure/reaction directed analysis with PMD.

- [Reactomics paper](https://www.nature.com/articles/s42004-020-00403-z). This paper contained the concepts of PMD based reactomics, applications and data mining of reaction database and compounds database.
- [Reactomics paper](https://doi.org/10.1038/s42004-020-00403-z). This paper contained the concepts of PMD based reactomics, applications and data mining of reaction database and compounds database.

- [Slides](http://yufree.github.io/presentation/reactomics/pres-asms.html). This is the slides for ASMS 2020 Reboot and here is the [video](https://youtu.be/-mT3HcVygHE) of presentation. Press "P" and you will see the notes for each slide with details. Another full version of reactomics presentation for one hour presentation could be found [here](http://yufree.github.io/presentation/reactomics/pres). I will not update the conference presentation while I will add new contents for the full version of reactomics presentation whenever I have new results.

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4 changes: 2 additions & 2 deletions inst/CITATION
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year = "2019",
issn = "0003-2670",
doi = "10.1016/j.aca.2018.10.062",
url = "https://www.sciencedirect.com/science/article/pii/S0003267018313047",
url = "https://doi.org/10.1016/j.aca.2018.10.062",
author = "Miao Yu and Mariola Olkowicz and Janusz Pawliszyn",
textVersion = paste("Miao Yu, Mariola Olkowicz, Janusz Pawliszyn",
"2019",
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"Untargeted high-resolution paired mass distance data mining for retrieving general chemical relationships,",
"Communications Chemistry, 3, 157."))

citFooter(paste("Some functions (e.g. getmd use xcms",
citFooter(paste("Some functions",
"party algorithms, see manpages and related packages",
"for respective citations."))

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