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sgibb / MALDIquant

Quantitative Analysis of Mass Spectrometry Data
https://strimmerlab.github.io/software/maldiquant/
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mergeMassSpectra throws warning "MassSpectrum created with missing/filtered mass values." #24

Closed sgibb closed 11 years ago

sgibb commented 11 years ago

Since fix #23 mergeMassSpectra throws a warning:

MassSpectrum created with missing/filtered mass values.

(which is not unusal in merging and should not confuse the user)

Seems to be a rounding problem:

> library("MALDIquant")
> createMassSpectrum(1:10, 1:10)
#S4 class type            : MassSpectrum
#Number of m/z values     : 10          
#Range of m/z values      : 1 - 10      
#Range of intensity values: 1 - 10      
> createMassSpectrum((1:10)+0.2, 1:10)
#S4 class type            : MassSpectrum
#Number of m/z values     : 10          
#Range of m/z values      : 1.2 - 10.2  
#Range of intensity values: 1 - 10      
#Warning message:
#In validityMethod(object) :
#  MassSpectrum created with missing/filtered mass values. This may compromise subsequent baseline correction and peak detection.