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Contents
require 'spec_helper'
require 'mspire/mzml'
require 'mspire/mzml/spectrum'
describe Mspire::Mzml::Spectrum do
describe 'creating an ms1 spectrum from xml' do
before(:all) do
@io = File.open(TESTFILES + "/mspire/mzml/j24z.idx_comp.3.mzML")
@mzml = Mspire::Mzml.new(@io)
end
after(:all) do
@io.close
end
it 'gathers key data for ms1 spectrum' do
spec = @mzml.run.spectrum_list[0]
# convenient access to common attributes
spec.retention_time.should == 1981.5726
spec.ms_level.should == 1
spec.precursor_mz.should be_nil
spec.precursor_charge.should be_nil
# array info
spec.mzs.size.should == 20168
spec.intensities.size.should == 20168
params = spec.params
params.size.should == 9
params.first.should be_a(::CV::Param)
end
it 'gathers key data for ms2 spectrum' do
spec = @mzml.run.spectrum_list[1]
# convenient access to common attributes
spec.retention_time.should == 1982.1077
spec.ms_level.should == 2
spec.precursor_mz.should == 479.7644958496094
spec.precursor_charge.should == 2
# array info
spec.mzs.size.should == 315
spec.intensities.size.should == 315
params = spec.params
params.size.should == 9
params.first.should be_a(::CV::Param)
end
end
end
Version data entries
25 entries across 25 versions & 1 rubygems