Template:MassBank/NeutralLoss
From Metabolomics.JP
(Difference between revisions)
m (New page: {{#lua: FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(F?[2-9]?)(I?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)" FORMULA_CHAR = "CHFINOPSl0-9" ATOM = {"C"...) |
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{{#lua: | {{#lua: | ||
| − | FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(F?[2-9]?)(I?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)" | + | FORMULA_PAT = "(C?l?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(F?[2-9]?)(I?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)" |
| − | FORMULA_CHAR = "CHFINOPSl0-9" | + | FORMULA_CHAR = "CHFINOPSl0-9*" |
ATOM = {"C", "H", "Cl", "F", "I", "N", "O", "P", "S"} | ATOM = {"C", "H", "Cl", "F", "I", "N", "O", "P", "S"} | ||
MASS = {12, 1, 35, 19, 127, 14, 16, 31, 32} | MASS = {12, 1, 35, 19, 127, 14, 16, 31, 32} | ||
| Line 47: | Line 47: | ||
local x, y; | local x, y; | ||
---Read Data--- | ---Read Data--- | ||
| − | for line in stdin:gmatch("[%S ,]+") do | + | for line in stdin:gmatch("&&[%w]+(&&[%S ,]+)") do |
if (string.find(line, "^&&[&%a%d]+&&$") ~= nil) | if (string.find(line, "^&&[&%a%d]+&&$") ~= nil) | ||
then ruler = string.gsub(line, "&&", " ") | then ruler = string.gsub(line, "&&", " ") | ||
| Line 75: | Line 75: | ||
countOrange=0 | countOrange=0 | ||
countGray=0 | countGray=0 | ||
| − | for i=1, table.getn(axis) do | + | for i=1, table.getn(axis) do ---Row i |
for j=1, i-1 do | for j=1, i-1 do | ||
s = diff(axis[j],axis[i]); | s = diff(axis[j],axis[i]); | ||
| Line 89: | Line 89: | ||
end | end | ||
end | end | ||
| − | print(countBlack | + | print("{{{1}}}" .." ".. countBlack .." "..countOrange .." ".. countGray) |
| − | + | ||
| − | + | ||
| | | | ||
| − | {{ | + | {{#SearchLine:^&&|Ojima|{{{1|KOX00174p}}}}} |
}} | }} | ||
Latest revision as of 14:50, 26 July 2010
&&KOX00174p&&C9H14N3O5&&C5H9O4&&C4H6N3O&&C4H3N2O&&C4H4N3&&C3H5N2&& &&KOX00174p&&C9H14N3O5: C5H9O4 &&KOX00174p&&C9H14N3O5: C4H6N3O &&KOX00174p&&C9H14N3O5: C4H3N2O** C4H4N3** &&KOX00174p&&C9H14N3O5: C3H5N2 &&KOX00174p&&C4H6N3O: C4H3N2O &&KOX00174p&&C4H6N3O: C4H4N3 &&KOX00174p&&C4H6N3O: C3H5N2
7 6 2
