********************* X-ray Absorption Data ******************** * Formula: C5H9NO2 * Comments: measurement is done for dried TFA solution * Common name: Proline * 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 2.03572951457251 309.952815547386 2.41848513499395 309.872672569939 2.21934287846975 309.792571035488 2.47561961345786 309.712510911896 2.2482733227319 309.632492167057 2.26148766973854 309.5525147689 2.39087233311943 309.472578685388 2.21062176008155 309.392683884515 2.42369249817536 309.312830334308 2.35271943249179 309.233018002829 2.53043894396605 309.153246858172 2.14091779472381 309.073516868463 2.33876129412813 308.993828001863 2.73616911174288 308.914180226563 2.25850627235181 308.834573510789 2.20893996587377 308.755007822799 2.27024079031431 308.675483130883 2.41225228591387 308.595999403366 2.19430846730166 308.516556608603 2.57708244478451 308.437154714983 2.66299065053966 308.357793690927 2.47426429896675 308.278473504888 2.76372655844411 308.199194125354 2.59442903035641 308.119955520842 2.40218853512103 308.040757659903 2.82544345100089 307.961600511121 2.77689624449505 307.882484043111 2.27832599538358 307.803408224521 2.67276064620205 307.724373024031 2.61150370208176 307.645378410354 2.62135074274854 307.566424352233 2.42160493206924 307.487510818444 2.78400649104829 307.408637777797 2.56873819747696 307.329805199132 2.76433603515942 307.251013051321 2.86498947455126 307.172261303269 2.48954817883006 307.093549923911 2.77543869493594 307.014878882216 3.01863285887977 306.936248147184 2.7235845868116 306.857657687845 2.94524243330922 306.779107473265 2.92626852286719 306.700597472536 2.69866252735287 306.622127654787 2.99845743559362 306.543697989176 3.00710702304601 306.465308444891 2.96057818600959 306.386958991155 2.88927803949907 306.30864959722 3.01351874190763 306.23038023237 2.83021326260354 306.152150865922 2.87434178302603 306.073961467221 2.87183285702593 305.995812005646 2.83653896633501 305.917702450607 2.98909796793538 305.839632771545 2.55600262556432 305.761602937931 2.98047902058613 305.683612919269 2.83745347196414 305.605662685092 2.84846261494105 305.527752204966 3.10255893623445 305.449881448488 2.8036830266131 305.372050385285 2.95865986261372 305.294258985014 3.05934896689937 305.216507217366 2.63917378991039 305.138795052061 3.10758595536232 305.061122458848 2.94369132781287 304.983489407511 2.74021555508265 304.90589586786 2.97833640526709 304.828341809741 3.0390065225504 304.750827203026 2.96317518871277 304.67335201762 2.90667210057222 304.595916223459 3.04107383349246 304.518519790507 2.7970354899726 304.441162688761 2.81837604993758 304.363844888248 2.96964787638666 304.286566359025 2.8930974684329 304.20932707118 3.35175321918348 304.13212699483 2.92889758359619 304.054966100124 2.88188336319997 303.97784435724 2.99938042380104 303.900761736387 3.23406658739179 303.823718207804 3.09398198751499 303.746713741761 3.12963004016342 303.669748308556 3.25132417880446 303.592821878519 3.06401576162268 303.51593442201 3.27930060301462 303.439085909418 3.41239730287363 303.362276311163 3.14052760422293 303.285505597694 3.06302814866302 303.208773739491 3.45369595467304 303.132080707062 3.37406969489452 303.055426470948 3.25069626737667 302.978811001716 3.21183639325666 302.902234269966 3.55003777001211 302.825696246326 3.51314342728326 302.749196901453 3.33605169896217 302.672736206037 3.33310943378867 302.596314130793 3.43202833179579 302.51993064647 3.39967529197549 302.443585723843 3.16208202837282 302.367279333718 3.39832925650091 302.291011446931 3.22214859679681 302.214782034346 3.42987341446622 302.138591066858 3.45432917922018 302.062438515391 3.46753886643753 301.986324350897 3.20653424232586 301.910248544358 3.57823910227126 301.834211066787 3.36201114667755 301.758211889222 3.32684780765123 301.682250982735 3.29983880378392 301.606328318424 3.46431005487842 301.530443867416 3.16598871159719 301.45459760087 3.30809737516685 301.378789489972 3.48422993921861 301.303019505935 3.18297325396189 301.227287620004 3.33266496104895 301.151593803453 3.13594696828064 301.075938027583 2.93374903972546 301.000320263724 2.91421757042888 300.924740483236 3.26589097087695 300.849198657508 3.18006001752462 300.773694757955 3.18376986451492 300.698228756024 3.23627545139511 300.622800623189 3.4779758293265 300.547410330953 3.29559876736153 300.472057850847 3.53394023517972 300.396743154431 3.32905306625887 300.321466213294 3.56242669986424 300.246226999053 3.61334082071968 300.171025483354 3.55889263881132 300.09586163787 3.63194928339935 300.020735434303 3.66059301964728 299.945646844384 3.51816208587377 299.870595839872 3.87118046821913 299.795582392554 4.00917748644026 299.720606474245 4.04449459484553 299.64566805679 4.16929472632938 299.570767112059 4.19966749684874 299.495903611952 4.00995545940219 299.421077528399 4.23990275833166 299.346288833353 4.43322183661 299.2715374988 4.54359106223538 299.196823496751 4.34943428637928 299.122146799247 4.71499347412075 299.047507378355 4.69405133474483 298.972905206171 4.6102064548868 298.898340254818 4.64539661525607 298.823812496449 4.80799882910385 298.749321903241 5.11022281496 298.674868447403 5.25892358912462 298.600452101168 5.43251282791687 298.526072836798 5.36117244793392 298.451730626585 5.64034751657711 298.377425442845 5.64174221202132 298.303157257923 5.92431674897577 298.228926044193 5.93737389618514 298.154731774053 5.68959823049484 298.080574419932 6.12246483527068 298.006453954285 6.37475064696527 297.932370349594 6.31086937155299 297.858323578369 6.30664077552386 297.784313613146 6.32828649798617 297.710340426492 6.26839762941183 297.636403990996 6.29141921221065 297.562504279278 6.21458403772216 297.488641263984 6.57820076199498 297.414814917787 6.30672952269831 297.341025213388 6.56318995096426 297.267272123514 6.69878459527754 297.19355562092 6.77538248807204 297.119875678386 6.63014953720038 297.046232268723 6.53638208422268 296.972625364764 6.38573432553635 296.899054939373 6.52261289326136 296.825520965439 6.27183734980668 296.752023415878 6.02774866489755 296.678562263633 6.25266514324677 296.605137481673 6.00994835968111 296.531749042996 6.000889082302 296.458396920625 5.84041363339302 296.385081087609 5.63973867214763 296.311801517025 5.62182461393788 296.238558181976 5.41219451746794 296.165351055593 5.37745089615965 296.092180111031 5.29348285058866 296.019045321474 5.48325504150039 295.945946660131 5.12382049340975 295.872884100238 5.20688592579482 295.799857615057 5.17865277414415 295.726867177876 5.34399083962121 295.653912762012 5.29321923293926 295.580994340805 5.4394188286303 295.508111887623 5.60059994497035 295.43526537586 5.67909967698241 295.362454778936 5.75626181405574 295.289680070298 5.86033133954123 295.216941223417 5.71379539957127 295.144238211794 5.80418030719249 295.071571008953 5.54012819497223 294.998939588444 5.57271155902954 294.926343923845 5.34795128711396 294.853783988758 5.57111899247469 294.781259756812 5.45087574712513 294.708771201663 4.99594457298413 294.636318296991 5.25304616793083 294.563901016503 4.76980372410205 294.491519333931 4.74589771512596 294.419173223033 4.69742470281627 294.346862657594 4.66869108246223 294.274587611424 4.61946825643853 294.202348058357 4.72071489917514 294.130143972257 4.68410171752509 294.057975327008 4.45191827953343 293.985842096525 4.90918957706164 293.913744254744 4.86664291516709 293.841681775631 4.84858208847411 293.769654633173 4.93492097850626 293.697662801387 5.32656045328662 293.625706254311 5.39743971665241 293.553784966013 5.3536276027434 293.481898910582 5.36244516684207 293.410048062136 5.64150123534148 293.338232394816 5.39097198926858 293.266451882789 5.47760362780512 293.194706500249 5.27306661315637 293.122996221411 5.18087809449876 293.05132102052 4.81709481375259 292.979680871844 4.50357486157142 292.908075749675 4.34299304123422 292.836505628332 4.01352986816719 292.764970482159 3.75114555568389 292.693470285524 3.87612989740369 292.622005012821 4.01622457754593 292.550574638468 3.43823525674008 292.479179136909 3.69305818494022 292.407818482612 3.90650226681123 292.336492650072 3.56167577159226 292.265201613805 3.49958459653598 292.193945348356 3.61314080797786 292.122723828293 3.25566181224837 292.051537028207 3.47560649026898 291.980384922718 3.39882949520978 291.909267486467 3.63957983020046 291.838184694121 3.47494313610743 291.767136520371 3.19695906145567 291.696122939935 3.43656455191323 291.625143927553 3.42309459594359 291.554199457991 3.21632245212089 291.483289506039 3.42710979424341 291.412414046511 3.27547068535528 291.341573054246 3.37072170919088 291.270766504109 3.83746768190897 291.199994370987 3.25021074039668 291.129256629792 3.18376986451492 291.058553255461 3.57300837752611 290.987884222957 3.62592609684042 290.917249507263 3.7810431887414 290.846649083389 3.47301044742296 290.776082926371 3.43881777708092 290.705551011265 3.7724554433561 290.635053313155 3.66867051545324 290.564589807147 3.93562331009027 290.494160468372 4.26964941539117 290.423765271984 3.79798180943833 290.353404193163 4.29176023983229 290.283077207112 4.09374496970486 290.212784289057 4.17340727855798 290.14252541425 4.33947661885925 290.072300557965 4.26112515120425 290.002109695503 4.38569590357091 289.931952802184 4.27106437847499 289.861829853356 4.70928814003558 289.791740824391 4.57221247294524 289.721685690681 4.13523915006368 289.651664427646 4.62932345999718 289.581677010726 4.89976510296428 289.511723415389 4.59981772785934 289.441803617123 4.69063273571259 289.371917591441 4.58469455999091 289.30206531388 4.73881112171717 289.23224676 4.90070070806783 289.162461905386 5.60253849022963 289.092710725645 6.58588303762954 289.022993196407 7.1652765597945 288.953309293328 7.95968232007323 288.883658992085 9.63080517703472 288.81404226838 10.5014645256995 288.744459097937 11.3316118691007 288.674909456506 12.07342744113 288.605393319857 12.5828540170631 288.535910663786 11.8244243869467 288.46646146411 10.9413623715882 288.397045696673 9.78939776074006 288.327663337337 6.89683785401548 288.258314361992 4.65509618106633 288.188998746548 3.59132442978334 288.119716466941 2.81784608149539 288.050467499127 2.44881822979414 287.981251819087 2.0431296099643 287.912069402825 1.81185070303393 287.842920226369 1.78551976244281 287.773804265767 1.57775045017062 287.704721497092 1.32279167463758 287.635671896441 1.51207935794298 287.566655439932 0.960452438470854 287.497672103707 1.18506504366122 287.428721863931 0.971523946413795 287.359804696791 0.612296064397398 287.290920578496 0.72616831028595 287.222069485281 0.429418713559509 287.153251393402 0.377079279304374 287.084466279136 0.596925835937529 287.015714118786 0.614916949953236 286.946994888675 0.421581065875452 286.87830856515 0.18026892046306 286.809655124581 0.134159428089374 286.741034543359 0.424774864230857 286.672446797899 0.25646921825682 286.603891864639 0.283482234762858 286.535369720038 0.242267901408372 286.466880340578 0.166967690181213 286.398423702765 0.224556705128201 286.329999783124 0.0159419202916808 286.261608558207 0.356031229432496 286.193250004584 0.227143010108355 286.12492409885 0.190012836975903 286.056630817623 -0.0036107927989848 285.988370137541 0.278290646081515 285.920142035265 -0.000155014736566872 285.851946487479 0.137001680379508 285.783783470889 0.0686454899816528 285.715652962223 0.422811195072298 285.647554938232 0.302357376562694 285.579489375687 0.473935381902505 285.511456251384 0.2835540570431 285.443455542139 0.331152082466438 285.375487224792 0.051129198561744 285.307551276201 0.104514826285694 285.239647673252 0.255067592358581 285.171776392848 0.323692969896883 285.103937411917 0.6525839562089 285.036130707408 0.534724545076651 284.96835625629 0.211617105504212 284.900614035557 0.444681266225123 284.832904022224 0.245290661808315 284.765226193326 0.487685147333838 284.697580525922 0.31124197079272 284.629966997093 -0.295593919084218 284.562385583939 0.636977050443287 284.494836263584 0.497781752702536 284.427319013174 0.507345686489774 284.359833809876 0.219027736618858 284.292380630878 0.252199464905649 284.224959453391 0.454103458321773 284.157570254646 0.512967379530195 284.090213011897 0.227935587012936 284.022887702419 0.365243609901317 283.955594303508 0.326340363300991 283.888332792483 0.53250359209775 283.821103146684 0.149166167318254 283.753905343471 0.355052167937477 283.686739360227 0.438449342813324 283.619605174355 0.797496099479835 283.552502763282 0.50826247512996 283.485432104454 0.574475382897764 283.418393175338 0.438783219168585 283.351385953425 0.650360937962202 283.284410416225 0.525627741566396 283.217466541269 0.573371345032002 283.150554306111 0.25015916728194 283.083673688326 0.282791462576475 283.016824665508 0.221859604273787 282.950007215275 0.367223326338679 282.883221315263 0.561196756701823 282.816466943134 0.366764392324129 282.749744076565 0.523686027999083 282.683052693259 0.495903888625172 282.616392770937 0.329598187324754 282.549764287342 0.529305498571249 282.48316722024 0.284254923036023 282.416601547414 0.583321717650356 282.350067246671 0.189037350666295 282.283564295839 0.421434019000417 282.217092672763 0.648840155539391 282.150652355314 0.470195406500529 282.084243321382 0.583671835453476 282.017865548875 0.562506809710481 281.951519015726 0.324004804245301 281.885203699887 0.433006306863016 281.818919579329 0.481281300117352 281.752666632047 0.206358891649208 281.686444836055 0.559084915234736 281.620254169387 0.273226628854255 281.554094610098 0.846963090937734 281.487966136266 0.534187842083456 281.421868725986 0.337657103363534 281.355802357375 0.40427779002609 281.289767008572 0.590396114143045 281.223762657734 0.659597296475879 281.157789283041 0.338369311269027 281.091846862691 0.198402379164036 281.025935374905 0.280139021198066 280.960054797922 0.23973076900594 280.894205110003 0.154827366282732 280.828386289428 0.52795476071104 280.7625983145 0.108144864102764 280.69684116354 0.370382294992257 280.631114814889 0.117966432935643 280.565419246911 0.378039795438709 280.499754437986 0.203247571307923 280.434120366519 0.36316212343882 280.368517010931 0.416997979816181 280.302944349667 0.262108559973167 280.237402361189 0.321616783851147 280.17189102398 0.166433752212604 280.106410316545 0.337597306124776 280.040960217407 0.302683392059828 279.975540705109 0.239460452684287 279.910151758216 0.209589772995899 279.844793355311 0.278304611850928 279.779465474997 0.483583458120018 279.7141680959 0.309251912607339 279.648901196661 0.44423038657448 279.583664755946 0.408839800325146 279.518458752438 0.243471502564186 279.453283164839 0.134804730648096 279.388137971874 0.120724940601355 279.323023152285 0.400630304886689 279.257938684836 0.385237801055407 279.192884548309 0.200891145597337 279.127860721507 0.528898506451628 279.062867183252 0.442703569758884 278.997903912386 0.274400789282437 278.932970887771 0.439268625717444 278.868068088288 0.444359052721291 278.803195492838 0.576887456309156 278.738353080343 0.290916381426568 278.673540829741 0.416959675240843 278.608758719993 0.463477677042628 278.544006730079 0.623604339731107 278.479284838997 0.692915802757736 278.414593025767 0.550699276522404 278.349931269425 0.185305411781145 278.28529954903 0.494549362840848 278.220697843658 0.619614980606833 278.156126132405 0.488160584809744 278.091584394389 0.610280788563241 278.027072608743 0.571664182043216 277.962590754622 0.523341031784516 277.8981388112 0.635753247725901 277.83371675767 0.926418580864282 277.769324573245 0.785254525799398 277.704962237156 0.624645002873995 277.640629728654 0.402522588773675 277.57632702701 0.375239987297831 277.512054111512 1.00465118003457 277.44781096147 0.510030522007262 277.383597556212 0.690644867161567 277.319413875083 0.492935554516929 277.255259897451 0.256679744096852 277.191135602699 0.297557234688712 277.127040970233 0.48799213106094 277.062975979476 0.779531608300204 276.99894060987 0.336032485411371 276.934934840875 0.63913114400801 276.870958651973 0.57167976776564 276.807012022663 0.433345741834716 276.743094932462 0.343992836147925 276.679207360908 0.508304066354856 276.615349287557 0.343126120496643 276.551520691983 0.421551833856347 276.48772155378 0.411782900890529 276.423951852561 0.624208127907759 276.360211567957 0.811595263234879 276.296500679618 0.322024461899184 276.232819167213 0.515011368394198 276.16916701043 0.671074343311416 276.105544188975 0.699666993295247 276.041950682572 0.820099363606652 275.978386470967 0.523492138501708 275.91485153392 0.67829892709954 275.851345851214 0.536758209029264 275.787869402647 0.567240520339726 275.724422168039 0.535121846384267 275.661004127225 0.436893379329273 275.597615260061 0.5076319664705 275.534255546421 0.333685248085236 275.470924966198 0.318875067260157 275.407623499302 0.652774788994627 275.344351125662 0.497339728945412 275.281107825227 0.240607350971363 275.217893577962 0.174469295112589 275.154708363853 0.456161403775642 275.091552162902 0.702442920874587 275.02842495513 0.197799760078865 274.965326720578 0.511886252739942 274.902257439303 0.187532006370099 274.839217091381 0.451787219754825 274.776205656907 0.228820241732997 274.713223115995 0.147901355429438 274.650269448774 0.166351278741976 274.587344635395 0.255067592358581 274.524448656025 0.158273927775475 274.461581490849 0.285424383907014 274.398743120071 0.13666101201604 274.335933523913 0.212874133392631 274.273152682616 0.372924938223034 274.210400576437 0.279907591421737 274.147677185652 0.758450619648799 274.084982490557 0.591104943780758 274.022316471462 0.359254035569974 273.959679108698 0.380707380287831 273.897070382615 0.114823104261348 273.834490273576 0.513242831574035