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Advanced display options: viewports Wegetcomplementaryinformationfromthedifferentspectrawecollect.Whenputtingthistogetheritisextremelyhelpfultobeabletoworkwiththedifferentspectraatonce,simultaneously.Varian's"Viewports"allowthis.
Preliminaries.
Loadeachofthespectratobecomparedintoworkspacesandmakesurethatthechemicalshiftaxesofeachareproperlyreferenced.
Youcanmix1Dsand2Dsbutinordertohavethemoverlaidorstacked,youwillneedthemtohaveatleastonscaleincommon.(Eg.allhaveone1Hchemicalshiftaxis.)
SettingupViewports.Joinoneoftheworkspacesthatcontainoneoftheexperimentstobecompared.InmycaseIhaveTOCSYinworkspace4,NOESYinworkspace1,ROESYinworkspace2andDQCOSYinworkspace5.
Pulldownthe'Edit'menuandselect'Viewports'(fourthformthebottom)(Page2[1]).Inthepanelthatopens,choosetheeye‐ballbuttonnextto'4'tosimultaneouslyviewfourexperiments.Close.
Intheleft‐handpanel,enterthenumbersoftheworkspacesthatcorrespondtoeachoftheexperimentsyouwanttoview[2].Atthistimeyoucanalsoelecttocolour‐code[3}.Ifyes,thenyoucanchooseacolourforeachexperiment[4].(Allcontourswillhavethesamecolour,exceptthattwocolourswillbeallocatedforexperimentswherebothpositiveandnegativecontourshavesignificance.)Notethatyoumayhaveto'activate'aviewportinordertobeabletoalterthechoiceofworkspaceitwilldisplayetc.Inordertodothisyouwillhavetodrawtheslidertotheright[5],andthiswillrevealacolumnofeye‐balls,whichallowyoutochoosewhichONEviewportyouaremodifying.Theotherwaytodecidewhichviewportistheactiveone,istoclickonthebaronthetopofthewindowdisplayingthatworkspace[6].Whenanworkspaceisactive,youcanmanipulatethespectruminitjustasyouareusedtodoinginsingle‐displaymode,usingthetoolsintheverticalpanel[7],orthehorizontalbar[8].
Choosewhetheryouwanttheviewportsside‐by‐sideoroneabovetheother[9]
Usethecheckboxestoflexiblyalterwhichofthepossibleviewportsareactuallydisplayed[10].
Selecttheviewportsyouwanttohaveonthesamescale,usingthecheckboxes.Clickon'Overlayviewports'[11].
Page3showsthatyounowhavetheoptionto'StackSpectra'[1].Whatthismeansisthatthesoftwarewilllinethemupaccordingtotheirchemicalshiftaxes.WhenyouselectXandYoffsetsof0[2],thenthesamechemicalshiftwillappearinexactly
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thesameplaceinthetwospectra:theaxeswillbesuperimposedandmadetomatchoneanother.Thiswillbeaccomplishedevenifyoucollectedthedatausingdifferentswortof,solongasbothhave1Hchemicalshiftaxes.Ifbotharecorrectlyreferenced,youshouldseethepeaksoverlapperfectlywherethisisexpected(mineisclosetoperfect)[3].(Ifyouhaveacollectionofspectraofdifferenttypes,suchasa1H1DandaCOSY,youwillseean'AlignSpectra'buttoninsteadof'StackSpectra'.Thisallowsyoutolineupyourbeautiful1Dalongtheedgeofyour2D.)
Activatethe'SynchronizeAxes'option[4]soyoucanzoominononespectrumandhavetheotheronezoomaswell.Anythingdonetoonespectrum'saxeswillbedoneforalltheotherspectratoo.Similarly,youwillprobablywantto'SynchronizeCursor'(above[4]).
Atthispoint,Iliketoreverttoaside‐by‐sidedisplay[1].InPage4youseethatIhaveloadedallfourworkspacesandselectedthemall.Eachhasaname(whichyoucanchange[2]),andthenameappearsinitstitlebar[3].Mysynchronizedcursor[4]movesthesamewayinallfourwindows,regardlessofwhichoneistheactiveone[5](bluetitlebarinsteadofgrey).Thus,IcanmovetoapeakinthyTOCSYanddeterminewhetheritispresentintheCOSY.InthisexampleIamlookingataspinsystemrevealedbytheTOCSYandlearningfromtheCOSYthatonlyoneofthepeaksisastrongcandidateforasinglestep.Inordertomakemorespaceavailablefordata,Ioftengoto'Fields'andturnthemoff(loosesdisplayofcranddelta[6]).
Youcanalterthenumberandspacingofcontours,forwhicheverviewportisactive[7].Dothisforeachspectruminturntogetthemalldisplayingthedesiredstrengths(orsignificance)ofsignals.
Youcanusetheprintscreentoobtaindigitalfiguresofyourdisplay,asforsinglespectra.Selectedthe'2D'tab[8]toswitchleft‐handpanels.
Page5thenshowsthatIusedEdit>Displaytoconverttoawhitebackgroundandblackaxes.Thenandnearthebottomchoosetosaveasafile[1](insteadofprinting)andthenactivatethe'PrintScreen'[2]toenterafiledirectoryandname,specifyoutputtypeetcandSAVE.
ThefigureproducedisshownonPage6.TogetthefigureonPage7,Iexploitedthesynchronizedzoom.WithoneworkspaceactiveIusedthecursorsasusualtodelineateaspectralregionofinterestandthenusedthemagnifyingglassicontozoomin.Allfourspectrawerezoomedidentically.AzoomedoverlayfigureisonPage8.Makingfiguresthiswayisextremelyconvenient.
Theotherhugeconvenienceisthepossibilityofselectingonerowinonespectrumandhavingacompanioncursormovetotheidenticalpositioninotherspectra.ThisenormouslyfacilitatestheinterpretationofHSQCandCIGAR(forexample).YoucanplacethecrosshairsonapeakinanHSQCandthiswillrevealinthecompanionCIGARwhichother13Cchemicalshiftsarecoupledremotelytothechosen1H,and
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similarlywhichother1Hchemicalshiftsarecoupledremotelytothechosen13C.(SeethenotesonHMBC‐CIGAR.)
Settingupinset
First,displaytheentirespectrumtosuityourpurpose(Page9).
Ontheleft‐handside,choosetheFrametab[1].Clickontheaddinsetbutton[2]tocreateasecondframeinsideyour(full)defaultframe.Usingtheleftmousebutton,placethecursorattheleftedgeofthespectralwindowyouwanttodisplayinthenewframe.Holdtheleftmousebuttondownwhiledraggingtotherightuntilyouhaveselectedthespectralregiontobedisplayedinthenewframe[3].Withoutreleasingthemousebutton,nowdragitverticallydown,toindicatetheverticalheightyournewframeshouldhave[4].(Thismotionislikewritingacapital'L'butwiththeorderinwhichtheverticalandthehorizontallegsareexecutedreversed.)Nowreleasethemousebutton.Yournewframecanbemovedtothedesiredpositionbydraggingitbyoneofitsedges,anditcanberesizedbydraggingonitscorners.Ifyouhaveseveralframes,youcanactivateonebyclickinginit(theframenowdisplaysaborder).
Insideanactiveframe,youcanzoomandpanusingtheappropriatetoolsfromtheviewportpanel(left‐handside).
Theresultingspectracanbeprintedviathe1Dpanel(left‐handside)whichgivesyouaccesstothePrintscreen(Page10).
Viewports figure
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Viewports:co-analysis of multiple
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