groupCorr-methods           package:CAMERA           R Documentation

_E_I_C _c_o_r_r_e_l_a_t_i_o_n _g_r_o_u_p_i_n_g _o_f _L_C/_E_S_I-_M_S _d_a_t_a

_D_e_s_c_r_i_p_t_i_o_n:

     Grouping the peaks after the correlation of the EICs into
     pseudospectragroups for a xsAnnotate object. Return a xsAnnotate
     object with group information.

_U_s_a_g_e:

      groupCorr(object,cor_eic_th=0.75)

_A_r_g_u_m_e_n_t_s:

  object: the 'xsAnnotate' object

cor_eic_th: correlation threshold for the EIC correlation

_D_e_t_a_i_l_s:

     The algorithm correlates the EIC of a every peak with all others,
     to find the peaks that belong to one substance. LC/MS data should
     grouped with groupFWHM first. This step reduce the runtime a lot
     and increased the number of correct classifications.

_A_u_t_h_o_r(_s):

     Carsten Kuhl <ckuhl@ipb-halle.de>

_E_x_a_m_p_l_e_s:

      library(CAMERA)
      file <- system.file('mzdata/MM14.mzdata', package = "CAMERA")
      xs   <- xcmsSet(c(file), method="centWave", ppm=30, peakwidth=c(5,10))
      an   <- xsAnnotate(xs)
      an   <- groupFWHM(an)
      an   <- groupCorr(an)

