MIDAs

MIDAs

Molecular Isotopic Distribution Analysis

MIDAs parameters:

Elemental composition, molecular formula or amino acid sequence [?]
MGLSDGEWQLVLNVWGKVEADIPGHGQEVLIRLFKGHPETLEKFDKFKHLKSEDEMKASEDLKKHGATVLTALGGILKKKGHHEAEIKPLAQSHATKHKIPVKYLEFISECIIQVLQSKHPGDFGADAQGAMNKALELFRKDMASNYKELGFQG
Type an elemental composition, molecular formula, peptide or protein sequence. Examples are C1000H2000, P(C6H5)3, H-AAFFER-OH, or protein sequence in fasta format.
Molecule class:
Table of Isotopic Masses and Natural Abundances [?]
# Name Symbol Mass (Da) Abundance (%) 1 Hydrogen H Deuterium H Tritium H 2 Helium He He 3 Lithium Li Li 4 Beryllium Be 5 Boron B B 6 Carbon C C C 7 Nitrogen N N 8 Oxygen O O O 9 Fluorine F 10 Neon Ne Ne Ne 11 Sodium Na 12 Magnesium Mg Mg Mg 13 Aluminum Al 14 Silicon Si Si Si 15 Phosphorus P 16 Sulpher S S S S 17 Chlorine Cl Cl 18 Argon Ar Ar Ar 19 Potassium K K K 20 Calcium Ca Ca Ca Ca Ca Ca 21 Scandium Sc 22 Titanium Ti Ti Ti Ti Ti 23 Vanadium V V 24 Chromium Cr Cr Cr Cr 25 Manganese Mn 26 Iron Fe Fe Fe Fe 27 Cobalt Co 28 Nickel Ni Ni Ni Ni Ni 29 Copper Cu Cu 30 Zinc Zn Zn Zn Zn Zn 31 Gallium Ga Ga 32 Germanium Ge Ge Ge Ge Ge 33 Arsenic As 34 Selenium Se Se Se Se Se Se 35 Bromine Br Br 36 Krypton Kr Kr Kr Kr Kr Kr 37 Rubidium Rb Rb 38 Strontium Sr Sr Sr Sr 39 Yttrium Y 40 Zirconium Zr Zr Zr Zr Zr 41 Niobium Nb 42 Molybdenum Mo Mo Mo Mo Mo Mo Mo 43 Technetium Tc 44 Ruthenium Ru Ru Ru Ru Ru Ru Ru 45 Rhodium Rh 46 Palladium Pd Pd Pd Pd Pd Pd 47 Silver Ag Ag 48 Cadmium Cd Cd Cd Cd Cd Cd Cd Cd 49 Indium In In 50 Tin Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn 51 Antimony Sb Sb 52 Tellurium Te Te Te Te Te Te Te Te 53 Iodine I 54 Xenon Xe Xe Xe Xe Xe Xe Xe Xe Xe 55 Cesium Cs 56 Barium Ba Ba Ba Ba Ba Ba Ba 57 Lanthanum La La 58 Cerium Ce Ce Ce Ce 59 Praseodymium Pr 60 Neodymium Nd Nd Nd Nd Nd Nd Nd 61 Promrthium Pm 62 Samarium Sm Sm Sm Sm Sm Sm Sm 63 Europium Eu Eu 64 Gadolinium Gd Gd Gd Gd Gd Gd Gd 65 Terbium Tb 66 Dysprosium Dy Dy Dy Dy Dy Dy Dy 67 Holmium Ho 68 Erbium Er Er Er Er Er Er 69 Thulium Tm 70 Ytterbium Yb Yb Yb Yb Yb Yb Yb 71 Lutetium Lu Lu 72 Hafnium Hf Hf Hf Hf Hf Hf 73 Tantalum Ta Ta 74 Tungsten W W W W W 75 Rhenium Re Re 76 Osmium Os Os Os Os Os Os Os 77 Iridium Ir Ir 78 Platinum Pt Pt Pt Pt Pt Pt 79 Gold Au 80 Mercury Hg Hg Hg Hg Hg Hg Hg 81 Thallium Tl Tl 82 Lead Pb Pb Pb Pb 83 Bismuth Bi 84 Polonium Po 85 Astatine At 86 Radon Rn 87 Francium Fr 88 Radium Ra 89 Actinium Ac 90 Thorium Th 91 Protactinium Pa 92 Uranium U U U 93 Neptunium Np 94 Plutonium Pu 95 Americium Am 96 Curium Cm 97 Berkelium Bk 98 Californium Cf 99 Einsteinium Es 100 Fermium Fm 101 Mendelevium Md 102 Nobelium No 103 Lawrencium Lr 104 Rutherfordium Rf 105 Dubnium Db 106 Seaborgium Sg 107 Bohrium Bh 108 Hassium Hs 109 Meitnerium Mt 110 Ununnilium Uun 111 Unununium Uuu 112 Ununbium Uub 114 Ununquadium Uuq 116 Ununhexium Uuh 118 Ununoctium Uuo
Table of Isotopic Masses and Natural Abundances^. User can modify abundance of isotope. Isotopes marked with have short half-life and are not observed under natural conditions. ^* References: G. Audi, A. H. Wapstra Nucl. Phys A. 1993, 565, 1-65. G. Audi, A. H. Wapstra Nucl. Phys A. 1995, 595, 409-480.

Charge:	[?]	Minimum probability:	[?]
Charge state of molecule. Program handles positive charges as a number of added hydrogen ions, negative charges as a number of added electrons.		Minimum probability reported with coarse-grained isotopic distribution. Allowed range is [10^-300..10^-20].

Coarse-grained isotopic distribution mass accuracy (Da):			[?]
Mass accuracy used to compute coarse-grained isotopic distribution. Allowed range [1, 10] Da.
Fine-grained isotopic distribution mass accuracy (Da):			[?]
Mass accuracy used to compute fine-grained isotopic distribution. Allowed range [0.0001, 1] Da.

Algorithm:

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