peaksDataset             package:flagme             R Documentation

_D_a_t_a _S_t_r_u_c_t_u_r_e _f_o_r _r_a_w _G_C_M_S _d_a_t_a _a_n_d _p_e_a_k _d_e_t_e_c_t_i_o_n _r_e_s_u_l_t_s

_D_e_s_c_r_i_p_t_i_o_n:

     Store the raw data and optionally, information regarding signal
     peaks for a number of GCMS runs

_U_s_a_g_e:

     peaksDataset(fns=dir(,"[Cc][Dd][Ff]"),verbose=TRUE,mz=seq(50,550),rtDivide=60,rtrange=NULL)

_A_r_g_u_m_e_n_t_s:

     fns: character vector, filenames of raw data in CDF format.

 verbose: logical, if 'TRUE' then iteration progress information is
          output.

      mz: vector giving bins of raw data table.

rtDivide: number giving the amount to divide the retention times by.

 rtrange: retention time range to limit data to (must be 'numeric'
          vector of length 2)

_D_e_t_a_i_l_s:

     peaksDataset is a hold-all data structure of the raw and peak
     detection data.

_V_a_l_u_e:

     'peaksDataset' object

_A_u_t_h_o_r(_s):

     Mark Robinson

_R_e_f_e_r_e_n_c_e_s:

     Mark D Robinson (2008).  Methods for the analysis of gas
     chromatography - mass spectrometry data _PhD dissertation_
     University of Melbourne.

_E_x_a_m_p_l_e_s:

     require(gcspikelite)

     # paths and files
     gcmsPath<-paste(.find.package("gcspikelite"),"data",sep="/")
     cdfFiles<-dir(gcmsPath,"CDF",full=TRUE)
     eluFiles<-dir(gcmsPath,"ELU",full=TRUE)

     # read data
     pd<-peaksDataset(cdfFiles[1:2],mz=seq(50,550),rtrange=c(7.5,8.5))
     show(pd)

