Template:MassBank/Matrix
From Metabolomics.JP
(Difference between revisions)
m |
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| Line 41: | Line 41: | ||
total = 0 | total = 0 | ||
---Register Ions--- | ---Register Ions--- | ||
| + | ---全ページのイオンヘッダーにおける頻度を登録。最初の要素はページ名--- | ||
for id, frag in stdin:gmatch("&&([%a%d]+)&&([%S]+)") do | for id, frag in stdin:gmatch("&&([%a%d]+)&&([%S]+)") do | ||
table.insert(Name, id) | table.insert(Name, id) | ||
| Line 80: | Line 81: | ||
{{#repeat:MassBank/SearchFgmt|1| | {{#repeat:MassBank/SearchFgmt|1| | ||
{{#lua: | {{#lua: | ||
| − | ---find and print Ruler--- | + | ---find and print Ruler--- |
| + | ---ヘッダー部分を分解するだけ--- | ||
for line in stdin:gmatch("[%S ,]+") do | for line in stdin:gmatch("[%S ,]+") do | ||
if (string.find(line, "^&&[&%a%d]+&&$") ~= nil) then | if (string.find(line, "^&&[&%a%d]+&&$") ~= nil) then | ||
| Line 247: | Line 249: | ||
for j,w in pairs(v) do | for j,w in pairs(v) do | ||
j = string.gsub(j,"*","") | j = string.gsub(j,"*","") | ||
| − | if (not inRuler[ | + | if (not inRuler[w]) then print('<span style="color:red">Fragment ion '..w..' does not exist.</span>') end |
end | end | ||
end | end | ||
| Line 276: | Line 278: | ||
else | else | ||
if (fragments[axis[j]] ~= nil and fragments[axis[j]][axis[i]] ~= nil) then | if (fragments[axis[j]] ~= nil and fragments[axis[j]][axis[i]] ~= nil) then | ||
| − | print('#style="background-color:orange"# ' .. s) | + | ---記号の有無により色を変更--- |
| + | if (fragments[axis[j]][axis[i].."*"] ~= nil) then | ||
| + | print('#style="background-color:pink"# ' .. s) | ||
| + | else if (fragments[axis[j]][axis[i].."**"] ~= nil) then | ||
| + | print('#style="background-color:skyblue"# ' .. s) | ||
| + | else | ||
| + | print('#style="background-color:orange"# ' .. s) | ||
| + | end | ||
else print('## ' .. s) end | else print('## ' .. s) end | ||
end | end | ||
Revision as of 14:57, 28 June 2009
| General Index | Ion Frequency | Prec.-Product | Neutral Loss | Help |
Contents |
Top 10 Similar Molecules of MassBank/Matrix
Similarity score is defined as the sum of Shannon entropy of shared ionic formulas.
- KOX00662p Score:19.04
- KOX00276p Score:19.04
- KOX00039p Score:10.76
- KOX00795p Score:8.27
- KOX00740p Score:8.27
- KOX00739p Score:8.27
- KOX00547p Score:8.27
- KOX00292p Score:8.27
- KOX00102p Score:8.27
- KOX00700p Score:5.38
Links
Annotations
| Precursor | Product | Comments |
|---|---|---|
| (0) | (0) | CHClFINOPS |
Precursor-Product Relationship
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).
./lua: /tmp/mw_ex_lua_VzmmGl:123: 'end' expected (to close 'if' at line 116) near 'else'
