chem.xray = { } function chem.xray.details ( file ) local counter, length, verbindung loadLuaFile ( file ) -- tex.print ( "{\\setlength{\\textheight}{1.1\\textheight}" ) tex.print ( "\\clearpage{\\newgeometry{bottom=4cm}" ) for index1, value1 in ipairs(xtable) do length = 0 for index2, value2 in ipairs(value1) do length = length + 1 end if length == 1 then verbindung = "Verbindung" else verbindung = "Verbindungen" end tex.print("\\clearpage") tex.print("\\expandafter\\belowpdfbookmark{\\nolink{"..verbindung.." ") counter = 0 for index2, value2 in ipairs(value1) do counter = counter + 1 if counter == 1 then if value2 ~= "" then tex.print("\\substance{"..value2.."}") end elseif counter == length then if value2 ~= "" then tex.print(" und \\substance{"..value2.."}") end else if value2 ~= "" then tex.print(", \\substance{".. value2.."}, ") end end end tex.print("}}{page:\\thepage}") tex.print("\\htable{p{.4\\linewidth}*{"..tostring(length).."}{|c}}{") tex.print("Verbindung") for index2, value2 in ipairs(value1) do if value2 ~= "" then tex.print("& \\substance{"..value2.."}") else tex.print("& \\hspace{4em}") end end tex.print(tex.newline) tex.print("\\midrule") tex.print("Summenformel") for index2, value2 in ipairs(value1) do tex.print("& \\ch{"..xray[value2][1].."}" ) end tex.print(tex.newline) tex.print("Molare Masse / \\Newunit{gram}{}\\Unit{mol}{-1}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][2] ) end tex.print(tex.newline) tex.print("Temperatur / \\Newunit{kelvin}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][3] ) end tex.print(tex.newline) tex.print("Wellenlänge / \\Newunit{angstroem}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][4] ) end tex.print(tex.newline) tex.print("Kristallsystem") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][5] ) end tex.print(tex.newline) tex.print("Raumgruppe") for index2, value2 in ipairs(value1) do tex.print("& $"..xray[value2][6].."$" ) end tex.print(tex.newline) tex.print("a / \\Newunit{angstroem}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][7] ) end tex.print(tex.newline) tex.print("b / \\Newunit{angstroem}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][8] ) end tex.print(tex.newline) tex.print("c / \\Newunit{angstroem}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][9] ) end tex.print(tex.newline) tex.print("α / \\Newunit{degree}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][10] ) end tex.print(tex.newline) tex.print("β / \\Newunit{degree}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][11] ) end tex.print(tex.newline) tex.print("γ / \\Newunit{degree}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][12] ) end tex.print(tex.newline) tex.print("Volumen / \\Newunit{angstroem}{3}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][13] ) end tex.print(tex.newline) tex.print("ρ / \\Newunit{kilogram}{}\\Unit{litre}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][14] ) end tex.print(tex.newline) tex.print("$F(000)$") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][15] ) end tex.print(tex.newline) tex.print("Kristallgröße / \\Newunit{millimetre}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][16] ) end tex.print(tex.newline) tex.print("Z") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][17] ) end tex.print(tex.newline) tex.print("Max. Transmission") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][18] ) end tex.print(tex.newline) tex.print("Min. Transmission") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][19] ) end tex.print(tex.newline) tex.print("μ / \\Newunit{millimetre}{-1}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][20] ) end tex.print(tex.newline) tex.print("Θ-Bereich / \\Newunit{degree}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][21] ) end tex.print(tex.newline) tex.print("Limiting Indices") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][22] ) end tex.print(tex.newline) for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][23] ) end tex.print(tex.newline) for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][24] ) end tex.print(tex.newline) tex.print("Reflektionen \\mbox{gesammelt/einzigartig}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][25] ) end tex.print(tex.newline) tex.print("Vollständigkeit zu Θ\\textsubscript{max} / \\Newunit{percent}{}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][26] ) end tex.print(tex.newline) tex.print("Beschränkungen / Parameter") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][27] ) end tex.print(tex.newline) tex.print("$R_{int}$") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][28] ) end tex.print(tex.newline) tex.print("$R_1, \\omega R_2\\ [I\\leq 2\\cdot\\sigma(I)]$") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][29] ) end tex.print(tex.newline) tex.print("$R_1, \\omega R_2$ (alle Daten)") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][30] ) end tex.print(tex.newline) tex.print("Anpassungsgüte $S$") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][31] ) end tex.print(tex.newline) tex.print("Δρ / e\\textsuperscript{$-$}\\Unit{angstroem}{-3}") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][32] ) end tex.print(tex.newline) tex.print("Absoluter Strukturparameter") for index2, value2 in ipairs(value1) do tex.print("& "..xray[value2][33] ) end tex.print(tex.newline) tex.print("}{Kristall-, Sammlungs- und Verfeinerungsdetails von Verbindung \\mbox{") counter = 0 for index2, value2 in ipairs ( value1 ) do counter = counter + 1 if counter == 1 then if value2 ~= "" then if counter == length then tex.print("\\substance{"..value2.."}.") else tex.print("\\substance{"..value2.."}") end end elseif counter == length then if value2 ~= "" then tex.print(" und \\substance{"..value2.."}.") end else if value2 ~= "" then tex.print(", \\substance{"..value2.."}, ") end end end tex.print("}}{}") end tex.print("\\restoregeometry}") end