bump version to address ppm issue

yufree · Sep 7, 2023 · 6130a69 · 6130a69
1 parent e23e961
commit 6130a69
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diff --git a/DESCRIPTION b/DESCRIPTION
@@ -1,7 +1,7 @@
 Package: enviGCMS
 Type: Package
 Title: GC/LC-MS Data Analysis for Environmental Science
-Version: 0.7.2
+Version: 0.7.3
 Authors@R: c(person(given = "Miao", family = "YU",
         role = c("aut", "cre"), 
         email = "[email protected]",

diff --git a/NEWS.md b/NEWS.md
@@ -1,7 +1,11 @@
+# enviGCMS 0.7.3
+
+- fix getalign2 to accept mz vector without ordering
+- fix getalign ppm bug
+
 # enviGCMS 0.7.2
 
 - adope MoNA msp format for getMSP
-- fix getalign2 to accept mz vector without ordering
 
 # enviGCMS 0.7.1
 

diff --git a/R/anno.R b/R/anno.R
@@ -87,8 +87,8 @@ getalign2 <-
                 rtn <- rt[!duplicated(yyy)]
                 mzr <-
                         data.table::as.data.table(cbind.data.frame(
-                                mzmin = mzn *         (1 - ppm * 1e-05),
-                                mzmax = mzn * (1 + ppm * 1e-05),
+                                mzmin = mzn *         (1 - ppm * 1e-06),
+                                mzmax = mzn * (1 + ppm * 1e-06),
                                 mz = mzn,
                                 rt = rtn
                         ))