********************* X-ray Absorption Data ******************** * Formula: C3H7NO2 * Comments: Formula given is the molecular formula, but the actual measurement is done for dried TFA solution C3H8NO2 * Common name: Alanine * Edge: C 1s * Acquisition mode: XAS-solid * Source and purity: Sigma Chemical Co., St. Louis, MO; TFA added * Delta eV: 0.2 eV, NSLS X1A outboard beamline * Contact person: Kaznacheyev K. * Write date: 1-may-2000 * Journal: Journal of Physical Chemistry A * Authors: K. Kaznacheyev and A. Osanna and C. Jacobsen and O. Plashkevych and O. Vahtras and H. {{\AA}gren} and V. Carravetta and Hitchcock, A.P. * Title: Innershell absorption spectroscopy of amino acids * Volume: 106 * Issue number: 13 * Year: 2002 * Pages: 3153--3168 * Y axis: mass_absorption_coefficient(micron(-1)(g/cm(3)(-1)) *------------------------------------------------------------------- 310.033 1.92852762412641 309.952815547386 1.85752298425279 309.872672569939 1.93637778997161 309.792571035488 1.82320698800416 309.712510911896 1.76265346579737 309.632492167057 1.89869950781327 309.5525147689 1.83061573805342 309.472578685388 1.83832761306292 309.392683884515 1.83122376137686 309.312830334308 1.86903620937029 309.233018002829 1.82839464004373 309.153246858172 1.83533147447163 309.073516868463 1.91037233175612 308.993828001863 1.94848656541688 308.914180226563 2.00997112133429 308.834573510789 1.98022754672063 308.755007822799 1.98538176053893 308.675483130883 1.93803666396193 308.595999403366 1.87299384965176 308.516556608603 1.96309431780074 308.437154714983 1.99858130829552 308.357793690927 2.03545072914653 308.278473504888 1.9473163420149 308.199194125354 2.02807650386347 308.119955520842 1.94787545886119 308.040757659903 2.02954722903991 307.961600511121 1.91346470932102 307.882484043111 2.1536773787717 307.803408224521 2.00932898458468 307.724373024031 1.96106521231293 307.645378410354 1.97060111136005 307.566424352233 2.09590635584067 307.487510818444 2.0572677149611 307.408637777797 2.05798577361381 307.329805199132 2.09956070212082 307.251013051321 2.05656652913931 307.172261303269 2.13584345387611 307.093549923911 2.07085792196875 307.014878882216 2.08375818405278 306.936248147184 2.05749162165828 306.857657687845 2.1173674287874 306.779107473265 2.13215568808463 306.700597472536 2.12012911982538 306.622127654787 2.20722300922399 306.543697989176 2.07026036034208 306.465308444891 2.22262579994075 306.386958991155 2.15912233997508 306.30864959722 2.10538980507418 306.23038023237 2.0658349930352 306.152150865922 2.08891657077252 306.073961467221 2.1341051902762 305.995812005646 2.10124550766311 305.917702450607 2.1764663446056 305.839632771545 2.16746599420468 305.761602937931 2.21326048411575 305.683612919269 2.24219628733963 305.605662685092 2.17599291104311 305.527752204966 2.20539834029335 305.449881448488 2.24595706680405 305.372050385285 2.24258557449182 305.294258985014 2.21074747691714 305.216507217366 2.25940143829475 305.138795052061 2.26173510337131 305.061122458848 2.28812476460243 304.983489407511 2.26128260113571 304.90589586786 2.32079320790381 304.828341809741 2.337126220508 304.750827203026 2.3300618208638 304.67335201762 2.38134380006278 304.595916223459 2.34166827512285 304.518519790507 2.40766654307459 304.441162688761 2.41614567791978 304.363844888248 2.4462182051664 304.286566359025 2.41585213219558 304.20932707118 2.51267263214402 304.13212699483 2.50243783826306 304.054966100124 2.48441727440677 303.97784435724 2.51299465478951 303.900761736387 2.50839512881241 303.823718207804 2.48826505936578 303.746713741761 2.58069760223965 303.669748308556 2.61066936118979 303.592821878519 2.62333160701974 303.51593442201 2.63189968146087 303.439085909418 2.58494067745664 303.362276311163 2.73227396001758 303.285505597694 2.58481860017937 303.208773739491 2.68351640049974 303.132080707062 2.67503514848736 303.055426470948 2.69586561481099 302.978811001716 2.65710266102722 302.902234269966 2.76617831337061 302.825696246326 2.66612971385961 302.749196901453 2.79960514583657 302.672736206037 2.73445650641413 302.596314130793 2.67210308786402 302.51993064647 2.7089662767417 302.443585723843 2.69661034716151 302.367279333718 2.72135842636072 302.291011446931 2.80137121189161 302.214782034346 2.78610769537028 302.138591066858 2.69986917826504 302.062438515391 2.70906665693614 301.986324350897 2.69494882193997 301.910248544358 2.72136932864269 301.834211066787 2.66898216187201 301.758211889222 2.64752858572418 301.682250982735 2.64790479444582 301.606328318424 2.66136908447295 301.530443867416 2.6424516535256 301.45459760087 2.69128423124501 301.378789489972 2.64576929049216 301.303019505935 2.62924317637393 301.227287620004 2.66825734146831 301.151593803453 2.73613990822077 301.075938027583 2.66432716310993 301.000320263724 2.61417532576706 300.924740483236 2.64828483884147 300.849198657508 2.65433424930753 300.773694757955 2.70465407958091 300.698228756024 2.7260252238954 300.622800623189 2.73588133951639 300.547410330953 2.72267963311476 300.472057850847 2.7651026355639 300.396743154431 2.80961283179064 300.321466213294 2.78504776587445 300.246226999053 2.8061080840953 300.171025483354 2.7666875909667 300.09586163787 2.86281229528378 300.020735434303 2.81729511971408 299.945646844384 2.88716522239146 299.870595839872 2.90833684375918 299.795582392554 2.91105371759264 299.720606474245 3.0422854526879 299.64566805679 2.97447146637166 299.570767112059 2.99976170180775 299.495903611952 3.08536677719072 299.421077528399 3.16434588416764 299.346288833353 3.21902986219738 299.2715374988 3.17798598433347 299.196823496751 3.21691312266284 299.122146799247 3.30544120238104 299.047507378355 3.42413827890844 298.972905206171 3.43755703220939 298.898340254818 3.43408210773552 298.823812496449 3.42038829556866 298.749321903241 3.48357724819192 298.674868447403 3.55296253735604 298.600452101168 3.60187248313865 298.526072836798 3.63773128431831 298.451730626585 3.63397872728836 298.377425442845 3.64290489821636 298.303157257923 3.79983035007783 298.228926044193 3.72778205997181 298.154731774053 3.77673522218136 298.080574419932 3.79774256127741 298.006453954285 3.88485596400097 297.932370349594 3.95520414703044 297.858323578369 3.95176379659226 297.784313613146 4.07789512900381 297.710340426492 4.05089446218666 297.636403990996 4.01372597032387 297.562504279278 4.13941939850362 297.488641263984 4.18832174070265 297.414814917787 4.11958281592996 297.341025213388 4.16810969312509 297.267272123514 4.08256740860334 297.19355562092 4.19336366040259 297.119875678386 4.04981634388787 297.046232268723 4.12726592704824 296.972625364764 4.13923070176019 296.899054939373 4.18592241314669 296.825520965439 4.08112830407159 296.752023415878 4.12366161308102 296.678562263633 3.8910252401936 296.605137481673 4.00922484038024 296.531749042996 3.8965929109817 296.458396920625 3.8935595909042 296.385081087609 3.92789144175671 296.311801517025 3.82135465940093 296.238558181976 3.71190173697918 296.165351055593 3.66864525169352 296.092180111031 3.8121886942375 296.019045321474 3.70041252331795 295.945946660131 3.90437757185728 295.872884100238 3.92732381132825 295.799857615057 3.92576548077848 295.726867177876 4.04424462601746 295.653912762012 4.1584642790722 295.580994340805 4.27377879525904 295.508111887623 4.23306730588086 295.43526537586 4.43548423842715 295.362454778936 4.30938773296703 295.289680070298 4.36108996112526 295.216941223417 4.34892441378631 295.144238211794 4.43180831196708 295.071571008953 4.22044640553441 294.998939588444 4.19266515627499 294.926343923845 4.1735867341617 294.853783988758 4.02033512246565 294.781259756812 3.91048466552464 294.708771201663 3.77176342702478 294.636318296991 3.72317011313021 294.563901016503 3.42910954070163 294.491519333931 3.40970028485559 294.419173223033 3.29749135194551 294.346862657594 3.30429415101521 294.274587611424 3.1372848682796 294.202348058357 2.96476823900066 294.130143972257 3.03761585708848 294.057975327008 2.98998929244509 293.985842096525 2.97641028998448 293.913744254744 3.05331568094982 293.841681775631 3.16942080496956 293.769654633173 3.09272616446009 293.697662801387 3.15195953002869 293.625706254311 3.31978131504836 293.553784966013 3.41899806868479 293.481898910582 3.37441046491488 293.410048062136 3.46691929546296 293.338232394816 3.44989271119437 293.266451882789 3.42089463856434 293.194706500249 3.23449174511786 293.122996221411 3.16032289879324 293.05132102052 2.99640143361686 292.979680871844 2.92691528239386 292.908075749675 2.73461542229836 292.836505628332 2.77265865054275 292.764970482159 2.6516912078104 292.693470285524 2.58721612426025 292.622005012821 2.36399609209318 292.550574638468 2.41101586327739 292.479179136909 2.39786115192866 292.407818482612 2.29533823627608 292.336492650072 2.24982301672079 292.265201613805 2.27754323017071 292.193945348356 2.28591788191428 292.122723828293 2.25001189561811 292.051537028207 2.18578493356233 291.980384922718 2.14187520427654 291.909267486467 2.14497100840263 291.838184694121 2.10730502125882 291.767136520371 2.15544579695288 291.696122939935 2.16604073775114 291.625143927553 2.01673463967109 291.554199457991 2.02819527533605 291.483289506039 2.09344540818482 291.412414046511 2.01532300693881 291.341573054246 1.98153725615902 291.270766504109 2.04783038684028 291.199994370987 2.02428164103012 291.129256629792 1.9368968627407 291.058553255461 1.90140528946369 290.987884222957 2.09659252072187 290.917249507263 1.9417646286276 290.846649083389 2.06566264006424 290.776082926371 2.07721007571752 290.705551011265 2.02084714754403 290.635053313155 2.0392019094221 290.564589807147 2.08686470807457 290.494160468372 2.07359867357021 290.423765271984 2.11423145491471 290.353404193163 2.13622795775277 290.283077207112 2.20997881760267 290.212784289057 2.15707128699539 290.14252541425 2.23430122227785 290.072300557965 2.27095054084316 290.002109695503 2.3356091917228 289.931952802184 2.36014500179431 289.861829853356 2.39240795967962 289.791740824391 2.50160346776283 289.721685690681 2.47032108064421 289.651664427646 2.58598281356356 289.581677010726 2.59391599109634 289.511723415389 2.57334947444762 289.441803617123 2.49188830859885 289.371917591441 2.62840266797668 289.30206531388 2.68976776818154 289.23224676 2.92291624832967 289.162461905386 3.28391077479569 289.092710725645 3.80120722387561 289.022993196407 4.32844900938082 288.953309293328 5.20918029000672 288.883658992085 6.32194434533609 288.81404226838 7.34863096971544 288.744459097937 8.13253096868245 288.674909456506 8.51870486954064 288.605393319857 9.36947508209117 288.535910663786 9.03475799274802 288.46646146411 7.8696356993396 288.397045696673 6.30403406936948 288.327663337337 4.47961071909215 288.258314361992 3.24009848128145 288.188998746548 2.43172285529544 288.119716466941 1.77275316347301 288.050467499127 1.56884092517738 287.981251819087 1.39056097039681 287.912069402825 1.24598288728345 287.842920226369 1.14124406154369 287.773804265767 1.02661274828228 287.704721497092 0.82538661453929 287.635671896441 0.84095204988735 287.566655439932 0.700946826228224 287.497672103707 0.58680525567293 287.428721863931 0.635447677610307 287.359804696791 0.452365133916936 287.290920578496 0.496459680778235 287.222069485281 0.431848193419973 287.153251393402 0.47970899471259 287.084466279136 0.411525137270517 287.015714118786 0.366655333649724 286.946994888675 0.317166779736592 286.87830856515 0.334263103443912 286.809655124581 0.339875913566814 286.741034543359 0.317991165933947 286.672446797899 0.397958226205164 286.603891864639 0.263666499041397 286.535369720038 0.387113532457771 286.466880340578 0.287035566941377 286.398423702765 0.336575407082061 286.329999783124 0.313456126999961 286.261608558207 0.289169795614081 286.193250004584 0.352879101129586 286.12492409885 0.371291255712596 286.056630817623 0.37309119809498 285.988370137541 0.369510825490461 285.920142035265 0.326435381851827 285.851946487479 0.419347166754854 285.783783470889 0.324355664629321 285.715652962223 0.37975121085323 285.647554938232 0.334088773507008 285.579489375687 0.285138591600445 285.511456251384 0.373282021300535 285.443455542139 0.348322783961294 285.375487224792 0.28455433087451 285.307551276201 0.332300147020342 285.239647673252 0.343208585635099 285.171776392848 0.26981441528369 285.103937411917 0.357863102979304 285.036130707408 0.386139230856228 284.96835625629 0.322575418856343 284.900614035557 0.294029012554491 284.832904022224 0.45849520897281 284.765226193326 0.323584753193294 284.697580525922 0.27552251728107 284.629966997093 0.253019774121622 284.562385583939 0.239121354993542 284.494836263584 0.346416079692399 284.427319013174 0.296256386016801 284.359833809876 0.327852601922453 284.292380630878 0.45025191936899 284.224959453391 0.276940387078338 284.157570254646 0.241493920362614 284.090213011897 0.381050216207672 284.022887702419 0.325189110512053 283.955594303508 0.253064773414094 283.888332792483 0.334186218956638 283.821103146684 0.360865805771854 283.753905343471 0.295419341468008 283.686739360227 0.370054613017496 283.619605174355 0.280524012308416 283.552502763282 0.344585313701956 283.485432104454 0.265427043709749 283.418393175338 0.313067409679436 283.351385953425 0.257508163713093 283.284410416225 0.213388488669489 283.217466541269 0.342722515343825 283.150554306111 0.287621368297677 283.083673688326 0.328762950840162 283.016824665508 0.290652834971982 282.950007215275 0.270763094672868 282.883221315263 0.304873014337728 282.816466943134 0.363922159331272 282.749744076565 0.352825504453711 282.683052693259 0.318172918167935 282.616392770937 0.253972342284636 282.549764287342 0.348030896240469 282.48316722024 0.325518529073068 282.416601547414 0.331028347418943 282.350067246671 0.211352636535853 282.283564295839 0.281429182278584 282.217092672763 0.317366598962059 282.150652355314 0.294693562456515 282.084243321382 0.355286217132214 282.017865548875 0.353948967624434 281.951519015726 0.301331047605065 281.885203699887 0.263942500520769 281.818919579329 0.280524012308416 281.752666632047 0.297451032441778 281.686444836055 0.310606966950565 281.620254169387 0.338935914734599 281.554094610098 0.35611572129399 281.487966136266 0.281059669898771 281.421868725986 0.338705733639018 281.355802357375 0.293779087993667 281.289767008572 0.261520069646533 281.223762657734 0.345049960150017 281.157789283041 0.344050217615942 281.091846862691 0.373046550734987 281.025935374905 0.231062120274571 280.960054797922 0.292548636006675 280.894205110003 0.323894570006936 280.828386289428 0.311019260851204 280.7625983145 0.269430093503995 280.69684116354 0.280704398572799 280.631114814889 0.20958701685448 280.565419246911 0.285390251182592 280.499754437986 0.355373529267631 280.434120366519 0.262044342712569 280.368517010931 0.388137279342852 280.302944349667 0.317582510405249 280.237402361189 0.276364102316764 280.17189102398 0.242611494206645 280.106410316545 0.381576096003434 280.040960217407 0.325089950791978 279.975540705109 0.329569171773896 279.910151758216 0.33301608196208 279.844793355311 0.310392437996181 279.779465474997 0.330404590448463 279.7141680959 0.294870046288045 279.648901196661 0.270552224487375 279.583664755946 0.242290238711058 279.518458752438 0.274930257116381 279.453283164839 0.397651990051865 279.388137971874 0.280524012308416 279.323023152285 0.284094970964025 279.257938684836 0.3326764231096 279.192884548309 0.349705575186541 279.127860721507 0.300560404042581 279.062867183252 0.330330963217132 278.997903912386 0.388179181911062 278.932970887771 0.289677777258803 278.868068088288 0.259814812087438 278.803195492838 0.267684855978497 278.738353080343 0.376543784599829 278.673540829741 0.290607281961443 278.608758719993 0.282655870515669 278.544006730079 0.295622249459809 278.479284838997 0.303806477701933 278.414593025767 0.353624313567062 278.349931269425 0.267331483726168 278.28529954903 0.337229982801641 278.220697843658 0.335441357760924 278.156126132405 0.285838473869718 278.091584394389 0.351241746588108 278.027072608743 0.322894222323542 277.962590754622 0.381424303207309 277.8981388112 0.292296476955364 277.83371675767 0.241189256117198 277.769324573245 0.316366614571636 277.704962237156 0.316366614571636 277.640629728654 0.341411039998507 277.57632702701 0.309437014335141 277.512054111512 0.301816911653424 277.44781096147 0.28486032279914 277.383597556212 0.273010264132829 277.319413875083 0.244991918257002 277.255259897451 0.272809532807241 277.191135602699 0.321804656946535 277.127040970233 0.299629211374113 277.062975979476 0.32384118498662 276.99894060987 0.236963407892556 276.934934840875 0.220942185351621 276.870958651973 0.254471376232361 276.807012022663 0.222694350664559 276.743094932462 0.280524012308416 276.679207360908 0.252006993094028 276.615349287557 0.236550953243168 276.551520691983 0.310294809672897 276.48772155378 0.285047657260891 276.423951852561 0.326167262913832 276.360211567957 0.288632832848036 276.296500679618 0.286917659101021 276.232819167213 0.286093507508437 276.16916701043 0.27458477416387 276.105544188975 0.303150470974858 276.041950682572 0.261909068370062 275.978386470967 0.374752209352003 275.91485153392 0.373538755439249 275.851345851214 0.269949514849986 275.787869402647 0.383761544021284 275.724422168039 0.360442430215529 275.661004127225 0.329779438399027 275.597615260061 0.295946297735603 275.534255546421 0.360442430215529 275.470924966198 0.300881233207287 275.407623499302 0.349868721580846 275.344351125662 0.39832020994379 275.281107825227 0.304866886222143 275.217893577962 0.281681283184161 275.154708363853 0.351713130832069 275.091552162902 0.348104706782357 275.02842495513 0.378733702589803 274.965326720578 0.382109375302752 274.902257439303 0.315374883570595 274.839217091381 0.33393350806598 274.776205656907 0.369009401841527 274.713223115995 0.331830330390962 274.650269448774 0.292276949376664 274.587344635395 0.410666408153807 274.524448656025 0.369048073702751 274.461581490849 0.357987280630501 274.398743120071 0.289917281066197 274.335933523913 0.368385051490391 274.273152682616 0.319092916272634 274.210400576437 0.323425620123372 274.147677185652 0.330251051283986 274.084982490557 0.385753717892595 274.022316471462 0.364898431377838 273.959679108698 0.36812143051711 273.897070382615 0.356216820352416 273.834490273576 0.274416371621881