calssim {msbase} | R Documentation |
PLs can be easily aligned if they have many matching peaks and the masses of this peaks span a wide mass range. The alignment of two PL fails if no matching peaks are found. We describe this properties mathematically by the following similarity measure.
S(A,B)=(sum_(i=1)^n sum_(j=i+1)^(n) |m_j-m_i|^p)^(1/p)
n is the number of matches and m_i and m_j are the masses of matching peaks. The measure computes the sum of all mass differences of matching peaks. The power p can be used to weight large differences stronger.
calssim(x, p) calsrange(x, p)
x |
masses of matching peaks |
p |
additional parameter |
similarity between peak-lists
W.E.Wolski witek96@users.sourceforge.net