class Mspire::Lipid::Search::Hit
Attributes
db_isobar_group[RW]
the db_isobar_group
this hit is associated with. Each hit is only associated with a single db_isobar_group
!
decoy_qvalue[RW]
qvalue derived from decoy testing
observed_mz[RW]
the experimental m/z value
probability_distribution[RW]
the probability distribution that can be used to determine its pvalue
pvalue[RW]
the probability the hit is due to random chance
qvalue[RW]
the FDR if the threshold accepts this pvalue. Note that this value is relative to the number of tests performed and not completely intrinsic to the hit itself.
Public Class Methods
new(hash={})
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# File lib/mspire/lipid/search/hit.rb, line 25 def initialize(hash={}) hash.each {|k,v| instance_variable_set("@#{k}", v) } end
Public Instance Methods
delta()
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observed_mz
- query m/z
# File lib/mspire/lipid/search/hit.rb, line 30 def delta @observed_mz - @db_isobar_group.first.mz.to_f end
Also aliased as: amu
delta_abs()
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the absolute value of distance from true val
# File lib/mspire/lipid/search/hit.rb, line 37 def delta_abs delta.abs end
inspect()
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# File lib/mspire/lipid/search/hit.rb, line 50 def inspect "<<#{super} -- <ppm=#{ppm} delta=#{delta} theoretical_mz=#{theoretical_mz}>>" end
ppm()
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parts per million (divided by theoretical m/z)
# File lib/mspire/lipid/search/hit.rb, line 42 def ppm (delta / @db_isobar_group.first.mz) * 1e6 end
theoretical_mz()
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# File lib/mspire/lipid/search/hit.rb, line 46 def theoretical_mz @db_isobar_group.first.mz end