ms-core 0.0.11 → 0.0.12

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Files changed (3) hide show
  1. data/VERSION +1 -1
  2. data/lib/ms/mass.rb +14 -0
  3. metadata +4 -4
data/VERSION CHANGED
@@ -1 +1 @@
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- 0.0.11
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+ 0.0.12
data/lib/ms/mass.rb CHANGED
@@ -4,6 +4,20 @@ module Ms
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  MASCOT_H_PLUS = 1.007276
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  H_PLUS = 1.00727646677 # need to verify this against HYDROGEN - ELECTRON
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  PROTON = H_PLUS
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+
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+ # lower case elements (h = Hydrogen)
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+ MONO = {
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+ 'h+' => 1.00727646677,
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+ 'h' => 1.007825035,
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+ 'h2o' => 18.0105647,
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+ 'oh' => 17.002739665,
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+ }
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+ # lower case elements (h = Hydrogen)
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+ AVG = {
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+ 'h' => 1.00794,
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+ 'h2o' => 18.01528,
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+ 'oh' => 17.00734,
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+ }
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  end
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  end
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metadata CHANGED
@@ -5,8 +5,8 @@ version: !ruby/object:Gem::Version
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  segments:
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  - 0
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  - 0
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- - 11
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- version: 0.0.11
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+ - 12
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+ version: 0.0.12
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  platform: ruby
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  authors:
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  - John T. Prince
@@ -15,7 +15,7 @@ autorequire:
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  bindir: bin
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  cert_chain: []
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- date: 2011-02-24 00:00:00 -07:00
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+ date: 2011-02-25 00:00:00 -07:00
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  default_executable:
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  dependencies:
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  - !ruby/object:Gem::Dependency
@@ -146,7 +146,7 @@ required_ruby_version: !ruby/object:Gem::Requirement
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  requirements:
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  - - ">="
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  - !ruby/object:Gem::Version
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- hash: -4553226932043159578
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+ hash: -3438756402400319046
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  segments:
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  - 0
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  version: "0"