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fix, order file, dpendency,
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philouail committed Oct 4, 2024
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7 changes: 4 additions & 3 deletions DESCRIPTION
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Expand Up @@ -18,13 +18,14 @@ Encoding: UTF-8
LazyData: false
Roxygen: list(markdown = TRUE)
Depends:
R (>= 4.3),
R (>= 4.3)
Suggests:
MsCoreUtils,
xcms (>= 4.1.5),
Spectra (>= 1.11.10),
MsExperiment,
MsIO,
MsBackendMetaboLights
Suggests:
MsBackendMetaboLights,
readxl,
limma,
matrixStats,
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6 changes: 4 additions & 2 deletions _pkgdown.yml
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Expand Up @@ -6,16 +6,18 @@ template:
navbar:
title: Metabonaut
left:
- text: Install
- text: Installation instruction
href: articles/install_v0.html
- text: Vignettes
menu:
- text: 'Dataset investigation: What to do when you get your data'
href: articles/dataset-investigation.html
- text: End-to-end workflow for untargeted metabolomics data analysis in R
href: articles/end-to-end-untargeted-metabolomics.html
href: articles/a-end-to-end-untargeted-metabolomics.html
- text: 'Seamless Alignment: Merging New data with Existing Preprocessed Datasets'
href: articles/alignment-to-external-dataset.html
- text: News
href: news/index.html
structure:
right:
- search
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Expand Up @@ -13,6 +13,8 @@ vignette: >
---

```{r setup, include=FALSE}
library(knitr)
library(quarto)
knitr::opts_knit$set(root.dir = './')
```

Expand All @@ -27,7 +29,7 @@ packages could be used for different steps and some examples are mentioned
throughout the workflow.

![Steps of the end-to-end workflow and possible
alternatives](\images\workflow.png)
alternatives](\vignettes\images\workflow.png)

# Data description

Expand All @@ -42,7 +44,6 @@ Our workflow is therefore based on the following dependencies:

```{r packages used, message=FALSE, warning=FALSE}
## General bioconductor package
library(Biobase)
library(BiocStyle)
library(knitr)
Expand Down Expand Up @@ -76,7 +77,6 @@ library(CompoundDb) # Access small compound annotation data.
library(MetaboAnnotation) # Functionality for metabolite annotation.
```


# Data import

Note that different equipment will generate various file extensions, so a
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3 changes: 2 additions & 1 deletion vignettes/alignment-to-external-dataset.qmd
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Expand Up @@ -11,6 +11,8 @@ vignette: >
---

```{r setup, include=FALSE}
library(knitr)
library(quarto)
knitr::opts_knit$set(root.dir = './')
```

Expand All @@ -36,7 +38,6 @@ library(MsBackendMetaboLights)
library(xcms)
library(MsExperiment)
library(Spectra)
library(knitr)
```

Setting parallel processing to improve the efficiency of the process:
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12 changes: 12 additions & 0 deletions vignettes/dataset-investigation.qmd
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Expand Up @@ -12,6 +12,12 @@ vignette: >

## In Construction

```{r setup, include=FALSE}
library(knitr)
library(quarto)
knitr::opts_knit$set(root.dir = './')
```

# Introduction

So, you (or your amazing lab mate) have finally finished the data acquisition,
Expand Down Expand Up @@ -65,3 +71,9 @@ separation was achieved using hydrophilic interaction liquid chromatography
quality.
- Compare pool lc-ms and pool lc-ms/ms and show that we have better separation
on the second run.

```{r}
getwd()
list.files()
list.dirs()
```

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