From 6e26ba5eadb11f5f08c03fee5b847b36d18945da Mon Sep 17 00:00:00 2001
From: Daniel Claborne <dmclaborne@gmail.com>
Date: Mon, 2 Dec 2024 15:41:51 -0800
Subject: [PATCH] remove CoreMS formula column and let as.peakData auto-create
 it

---
 R/coreMSDataToFtmsData.R | 1 +
 1 file changed, 1 insertion(+)

diff --git a/R/coreMSDataToFtmsData.R b/R/coreMSDataToFtmsData.R
index 83aa76c..0cf0fcb 100644
--- a/R/coreMSDataToFtmsData.R
+++ b/R/coreMSDataToFtmsData.R
@@ -89,6 +89,7 @@ coreMSDataToFtmsData <- function(cmsObj) {
   e_meta[element_cnames] <- counts_df
   
   e_meta <- e_meta %>%
+    dplyr::ungroup() %>%
     dplyr::select(Mass, all_of(element_cnames), `Calibrated m/z`, .data[[calc_mass]], 
                   .data[[heteroatom]], .data[[ion_type]]) %>%
     dplyr::arrange(Mass)