bin/mzML2mgf.rb in mzml-0.2.0 vs bin/mzML2mgf.rb in mzml-0.2.2

- old
+ new

@@ -19,35 +19,20 @@ #now loop through each spectrum.. sort first to be the same as msconvert sorted_keys = mzml.parse_index_list[:spectrum].keys.sort{ |x,y| x.split('=')[3].to_i <=> y.split('=')[3].to_i } sorted_keys.each do |k| - s = mzml.spectrum(k) unless s.precursor_list.nil? || s.precursor_list.empty? - - - #now we print! - puts "BEGIN IONS" puts "TITLE=#{s.id}" puts "RTINSECONDS=#{s.retention_time}" puts "PEPMASS=#{s.precursor_mass} #{s.precursor_intensity}" - 0.upto(s.mz.length-1) do |i| - - puts "#{sprintf('%5.7f', s.mz[i])} #{sprintf('%4.9f', s.intensity[i])}" - + puts "#{sprintf('%0.7f', s.mz[i]).to_f} #{sprintf('%0.2f', s.intensity[i]).to_f}" end - - puts "END IONS" - - end - - - end