Template:MassBank/Matrix
From Metabolomics.JP
(Difference between revisions)
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| Line 66: | Line 66: | ||
---Check Ruler--- | ---Check Ruler--- | ||
if (ruler == nil) then | if (ruler == nil) then | ||
| − | print( | + | print('<span style="color:red">No "ION INFO" line in the form &&(formula)&&(formula)&&...&&</span>') |
ruler = "CHClONSP" | ruler = "CHClONSP" | ||
end | end | ||
| Line 73: | Line 73: | ||
for formula in string.gmatch(ruler, "([%S]+)") do | for formula in string.gmatch(ruler, "([%S]+)") do | ||
if (x ~= nil and mass(formula) > mass(x)) then | if (x ~= nil and mass(formula) > mass(x)) then | ||
| − | print( | + | print('<span style="color:red">Illegal ion order (check mass!): '..x..' < '..formula..'</span><br/>') |
end | end | ||
x = formula | x = formula | ||
| Line 80: | Line 80: | ||
---Check Fragments--- | ---Check Fragments--- | ||
for i,v in pairs(fragments) do | for i,v in pairs(fragments) do | ||
| − | if (not y[i]) then print( | + | if (not y[i]) then print('<span style="color:red">Parent ion '..i..' does not exist.</span>') end |
for j,w in pairs(v) do | for j,w in pairs(v) do | ||
| − | if (not y[j]) then print( | + | if (not y[j]) then print('<span style="color:red">Fragment ion '..j..' does not exist.</span>') end |
end | end | ||
end | end | ||
Revision as of 02:10, 14 May 2009
Ojimatrix
No "ION INFO" line in the form &&(formula)&&(formula)&&...&&
| MassBank/Matrix | 64 CHClONSP |
| 64 CHClONSP |
|
Links
Annotations
| Parent | Fragment | Comments |
|---|---|---|
| CHClNOPS |
