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={}) click to toggle source
# 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

amu()
Alias for: delta
delta() click to toggle source

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() click to toggle source

the absolute value of distance from true val

# File lib/mspire/lipid/search/hit.rb, line 37
def delta_abs
  delta.abs
end
inspect() click to toggle source
# File lib/mspire/lipid/search/hit.rb, line 50
def inspect
  "<<#{super} -- <ppm=#{ppm} delta=#{delta} theoretical_mz=#{theoretical_mz}>>"
end
ppm() click to toggle source

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() click to toggle source
# File lib/mspire/lipid/search/hit.rb, line 46
def theoretical_mz
  @db_isobar_group.first.mz
end