groupFWHM-methods           package:CAMERA           R Documentation

_F_W_H_M-_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 FWHM of the retentiontimes into
     pseudospectragroups for a xsAnnotate object. Returns a xsAnnotate
     object with group information.

_U_s_a_g_e:

      groupFWHM(object,sigma = 6 , perfwhm = 0.6)

_A_r_g_u_m_e_n_t_s:

  object: the 'xsAnnotate' object

   sigma: the multiplier of the standard deviation

 perfwhm: percentage of the width of the FWHM

_D_e_t_a_i_l_s:

     The FWHM (full width at half maximum) of a peak, will be used for
     the grouping. Every peak who eluated at the same time as a
     selected peak, will be part of the group. Same time is defined
     about the Rt-med +/-FWHM*perfwhm. FWHM is calculated as the
     product of sigma * standard deviation.

_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(file, method="centWave", ppm=30, peakwidth=c(5,10))
      an   <- xsAnnotate(xs)
      an   <- groupFWHM(an)

