mspire 0.10.7 → 0.10.7.1

checksums.yaml

@@ -1,7 +1,7 @@
 ---
 SHA1:
-  metadata.gz: fbffabefff9915adb341c9e9ed2f21212db4ed6b
-  data.tar.gz: b259fb13ecb08e7fe766cc0ee790b96cce806047
+  metadata.gz: eb806c3b3fc8c31258494541f15be3064f9e8a15
+  data.tar.gz: 9666168614b20a6a8ac974c5c6cd29c715b87b3e
 SHA512:
-  metadata.gz: bbdb120988547420fd69b3592120965f01ec23881478f1557709667869f9848710efb0bd9e39e935319c0943a33b9f5ea4d94feef5c102d0068a131ed584671e
-  data.tar.gz: 3ebdd7b90213521fc444d3ab07a60580ad6dfc095c781e6e64f3131bb0fb4bbe745f62216336443340c776d71dede8ab1ae4812522ac853a50b897578c1cbd13
+  metadata.gz: f8d798ed8a3efd8b0483c4b957b139eb4a040b76f598eecc9615cfe8332d8bdfbd0b66185e3416d5e98e57fc8f8705af44e479a3d7e263f2c90d138cd0098223
+  data.tar.gz: db2e325aef76a22747cca13f5a25e9357b1e76c1a253ef9b71a10fae7b7df6fd8f1faded2c1f5352112a37ab65e54fe3df6099e1c7b717a4e89b70db80f70075

data/lib/mspire/mzml/scan.rb

@@ -26,6 +26,21 @@ module Mspire
         yield(self) if block_given?
       end
 
+      # returns the first existing scan window, or nil if none
+      def scan_window
+        return nil unless scan_windows
+        scan_windows.first
+      end
+
+      # returns a doublet: the upper and lower scan window limits as floats.
+      # Returns an array of two values, but may be nil if they don't exist.
+      def scan_window_limits
+        %w(MS:1000501 MS:1000500).map do |acc|
+          val = scan_window.fetch_by_acc(acc)
+          val && val.to_f
+        end
+      end
+
       # link should have:
       #
       #     :ref_hash

data/lib/mspire/mzml/spectrum.rb

@@ -87,6 +87,12 @@ module Mspire
         end
       end
 
+      # returns the first scan from the scan_list, or nil if none are found
+      def scan
+        return nil unless scan_list 
+        scan_list.first
+      end
+
       # returns the ms_level as an Integer
       def ms_level
         fetch_by_acc('MS:1000511')

data/lib/mspire/version.rb

@@ -1,3 +1,3 @@
 module Mspire
-  VERSION = "0.10.7"
+  VERSION = "0.10.7.1"
 end

metadata

@@ -1,7 +1,7 @@
 --- !ruby/object:Gem::Specification
 name: mspire
 version: !ruby/object:Gem::Version
-  version: 0.10.7
+  version: 0.10.7.1
 platform: ruby
 authors:
 - John T. Prince
@@ -9,7 +9,7 @@ authors:
 autorequire: 
 bindir: bin
 cert_chain: []
-date: 2014-03-07 00:00:00.000000000 Z
+date: 2014-03-21 00:00:00.000000000 Z
 dependencies:
 - !ruby/object:Gem::Dependency
   name: nokogiri
@@ -460,7 +460,7 @@ required_rubygems_version: !ruby/object:Gem::Requirement
       version: '0'
 requirements: []
 rubyforge_project: 
-rubygems_version: 2.2.0
+rubygems_version: 2.2.2
 signing_key: 
 specification_version: 4
 summary: mass spectrometry proteomics, lipidomics, and tools