msdata                package:msdata                R Documentation

_S_a_m_p_l_e _L_C/_M_S _a_n_d _M_S$^_n$ _d_a_t_a

_D_e_s_c_r_i_p_t_i_o_n:

     'x' object containing a subset of LC/MS raw data from an Thermo
     Finnigan LCQ Deca XP  The data is a subset from 500-850 m/z and
     1190-1310 seconds, incl. MS2 and MS3, intensity threshhold
     100.000. It was collected in positive ionization mode.

_U_s_a_g_e:

     data(xs)

_F_o_r_m_a_t:

     The format is:  
       xs


_D_e_t_a_i_l_s:

     The corresponding raw mzdata files are located in the 'mzdata'
     subdirectory of this package.

_S_e_e _A_l_s_o:

     'xcmsSet', 'xcmsRaw'

_E_x_a_m_p_l_e_s:

     ## The directory with the mzData LC/MS files
     mzdatapath <- file.path(.find.package("msdata"), "mzdata")
     mzdatapath
     list.files(mzdatapath, recursive = TRUE)

     if (require(xcms)) {

     ## xcmsRaw Summary
     show(xs)

     ## Access raw data file
     x <- xcmsRaw(cdfpaths(xs)[1])
     x

     }

