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jasenfinch committed Feb 17, 2021
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7 changes: 6 additions & 1 deletion README.Rmd
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Expand Up @@ -8,8 +8,13 @@ knitr::opts_chunk$set(collapse = TRUE, comment = "#>")

# mzAnnotation

<!-- badges: start -->
[![Lifecycle: experimental](https://img.shields.io/badge/lifecycle-experimental-orange.svg)](https://lifecycle.r-lib.org/articles/stages.html#experimental)
[![R build status](https://github.com/jasenfinch/mzAnnotation/workflows/R-CMD-check/badge.svg)](https://github.com/jasenfinch/mzAnnotation/actions)
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[![DOI](https://zenodo.org/badge/33083554.svg)](https://zenodo.org/badge/latestdoi/33083554)
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An R package containing tools for putative annotation of accurate m/z from electrospray ionisation mass spectrometry data.

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```{r}
res <- generateMF(342.11621,
element_max = c(C = 12,H = 22,N = 0,
O = 11,P = 0,S = 0))
O = 11,P = 0,S = 0))
res
```

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8 changes: 7 additions & 1 deletion README.md
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@@ -1,10 +1,16 @@

# mzAnnotation

<!-- badges: start -->

[![Lifecycle:
experimental](https://img.shields.io/badge/lifecycle-experimental-orange.svg)](https://lifecycle.r-lib.org/articles/stages.html#experimental)
[![R build
status](https://github.com/jasenfinch/mzAnnotation/workflows/R-CMD-check/badge.svg)](https://github.com/jasenfinch/mzAnnotation/actions)
[![Coverage
Status](https://img.shields.io/codecov/c/github/jasenfinch/mzAnnotation/devel.svg)](https://codecov.io/github/jasenfinch/mzAnnotation?branch=devel)
[![DOI](https://zenodo.org/badge/33083554.svg)](https://zenodo.org/badge/latestdoi/33083554)
<!-- badges: end -->

An R package containing tools for putative annotation of accurate m/z
from electrospray ionisation mass spectrometry data.
Expand Down Expand Up @@ -39,7 +45,7 @@ res
``` r
res <- generateMF(342.11621,
element_max = c(C = 12,H = 22,N = 0,
O = 11,P = 0,S = 0))
O = 11,P = 0,S = 0))
res
#> # A tibble: 1 x 3
#> MF Mass `PPM Error`
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