1: |
procedure COVINA(input parameters: mzXML file(s), m/z; optional parameters: scan.number, |
2: |
peak.width, mass.tolerance, intensity.threshold, correlation.threshold) |
3: |
Use the first mzXML file to do
|
4: |
XIC.Base ← XIC of m/z within mass.tolerance
|
5: |
if
scan.number is not specified then
|
6: |
scan.number ← scan with highest signal in XIC.Base
|
7: |
end if
|
8: |
scan.range ← scan.number ± peak.width
|
9: |
mz.table ← all m/z values in the scan.number-th scan that are above |
10: |
intensity.threshold
|
11: |
Base.Chromatogram ← XIC.Base within scan.range
|
12: |
for each value in the mz.table
|
13: |
Query.Chromatogram ← corresponding XIC within mass.tolerance and |
14: |
scan.range
|
15: |
if correlation between Base.Chromatogram and Query.Chromatogram > |
16: |
correlation.threshold
then
|
17: |
add this m/z value to the covariant.ion.list
|
18: |
end if
|
19: |
end for
|
20: |
end do
|
21: |
In each mzXML file
do
|
22: |
covariant.ion.intensities ← Integrated peak area for each value in the |
23: |
covariant.ion.list within scan.range
|
24: |
end do
|
25: |
return
covariant.ion.list, covariant.ion.intensities
|
26: |
end procedure |