c tool for ltq_orbitrap_ms

loosolab · Oct 10, 2019 · dee2e22 · dee2e22
1 parent 7213130
commit dee2e22
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Showing 3 changed files with 19 additions and 15 deletions.
diff --git a/R/load_meta_functions.R b/R/load_meta_functions.R
@@ -72,24 +72,28 @@ flatten_json <- function(json)
   group_count <- group_count(json)
   for(group_numb in group_count)
   {
-    if(!is.na(json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][[group_numb]]["Time [mm:ss]"]))
+    gradient_data <- json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][[group_numb]]["Time [mm:ss]"]
+    if(length(gradient_data) != 0)
     {
-      time <- c()
-      duration <- c()
-      flow <- c()
-      mixture <- c()
-      for(i in json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]])
+      if(!is.na(gradient_data))
       {
-        time <- c(time, i["Time [mm:ss]"][[1]])
-        duration <- c(duration, i["Duration [mm:ss]"][[1]])
-        flow <- c(flow, i["Flow [nl/min]"][[1]])
-        mixture <- c(mixture, i["Mixture [%B]"][[1]])
+        time <- c()
+        duration <- c()
+        flow <- c()
+        mixture <- c()
+        for(i in json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]])
+        {
+          time <- c(time, i["Time [mm:ss]"][[1]])
+          duration <- c(duration, i["Duration [mm:ss]"][[1]])
+          flow <- c(flow, i["Flow [nl/min]"][[1]])
+          mixture <- c(mixture, i["Mixture [%B]"][[1]])
+        }
+        json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]] <- NULL
+        json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Time [mm:ss]"]] <- time
+        json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Duration [mm:ss]"]] <- duration
+        json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Flow [nl/min]"]] <- flow
+        json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Mixture [%B]"]] <- mixture
       }
-      json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]] <- NULL
-      json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Time [mm:ss]"]] <- time
-      json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Duration [mm:ss]"]] <- duration
-      json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Flow [nl/min]"]] <- flow
-      json [["Group"]][[group_numb]][["Instruments"]][["Thermo EASY-nLC"]][["Method"]][["Gradient"]][["Mixture [%B]"]] <- mixture
     }
   }
 

diff --git a/inst/bin/MARMoSET.exe b/inst/bin/MARMoSET.exe
diff --git a/inst/bin/MARMoSET.pdb b/inst/bin/MARMoSET.pdb