HOW TO PROCESS NMR SPECTRUM (SIMPLE) 1) AFTER THE ACQUISITION THE SPECTRUM TAB SHOULD HAVE YOUR FID (FREE INDUCTION DECAY) SPECTRUM. 2) TO FOURIER TRANSFORM THIS SIGNAL ENTER “FT” FOR 1H OR “EF” FOR C13, INTO THE COMMAND BAR AT THE BOTTOM OF THE SCREEN. 3) THE SPECTRUM SHOULD LOOK SOMETHING LIKE THIS: IT IS OUT OF PHASE, TO CORRECT THE PHASE ENTER “APK” INTO THE COMMAND BAR. 4) THE SPECTRUM SHOULD NOW LOOK LIKE A ‘NORMAL’ NMR SIGNAL WITH VERTICAL PEAKS
Welcome message from author
This document is posted to help you gain knowledge. Please leave a comment to let me know what you think about it! Share it to your friends and learn new things together.
Transcript
HOWTOPROCESSNMRSPECTRUM(SIMPLE)
1) AFTERTHEACQUISITIONTHESPECTRUMTABSHOULDHAVEYOURFID(FREEINDUCTIONDECAY)SPECTRUM.
2) TOFOURIERTRANSFORMTHISSIGNALENTER“FT”FOR1HOR“EF”FOR
C13,INTOTHECOMMANDBARATTHEBOTTOMOFTHESCREEN.3) THESPECTRUMSHOULDLOOKSOMETHINGLIKETHIS:ITISOUTOF
PHASE,TOCORRECTTHEPHASEENTER“APK”INTOTHECOMMANDBAR.
4) THESPECTRUMSHOULDNOWLOOKLIKEA‘NORMAL’NMRSIGNALWITH
VERTICALPEAKS
5) TOCALIBRATETHEAXIS,BYPUTTINGTMSOROTHERREFERENCECOMPOUNDATZEROPPM,CLICKTHE“CALIBRATEAXIS”BUTTONONTHETOPTOOLBAR.
6) LEFTCLICKONTHECENTEROFTHEREFERENCEPEAKANDAWINDOW
WILLPOPUP.ENTER“0”ASTHEVALUEFORSPECTRUMCALIBRATIONFREQUENCY.CLICK“OK”.
FORPEAKPICKINGGOTONEXTPAGE
PICKPEAKS
1) CLICKTHE“PICKPEAKS”BUTTONATTHETOPTOOLBAR.
2) FROMTHETOPBUTTONBAROFTHESPECTRUMWINDOWCLICKONTHE“DEFINENEWPEAKPICKINGRANGE”BUTTONIFNOTALREADYACTIVE.
3) LEFTCLICK-HOLDONTHEMOUSEANDDRAGTHE‘GREENBOX’OVERTHEPEAKSTHATYOUWOULDLIKETOSELECT.MAKESURETHEBOXCOVERSTHETOPOFTHEPEAKSOTHERWISEITWILLNOTSELECTTHEM.(hint-SCROLLINGUP/DOWNONTHEROLLEROFTHEMOUSECANINCREASEANDDECREASETHEINTENSITYOFTHEPEAKSANDBRINGTHEMINTOFRAME)
4) ONCETHEREGIONISDEFINEDCLICKON“DEFINEPEAKREGION”TODEACTIVATETHEFUNCTION.
5) LEFTCLICK-HOLDANDDRAGTOZOOMINONINDIVIDUALPEAK(S).
6) IFTHEREAREERRANTPEAKSCHOSENTHEYCANBEDELETEDMANUALLY.
7) CLICKTHE“MANUALPICKING”BUTTONANDRIGHTCLICKONPEAK.SELECT“DELETEPEAKSUNDERCURSOR”.
8) SELECTDELETEALLPEAKSTOSTARTOVERIFDESIRED.
FORINTERGRATIONSEENEXTPAGE
INTEGRATION
1) CLICKONTHE“INTEGRATION”BUTTONFROMTHETOPTOOLBAR.2) CLICKONTHE“DEFINENEWREGION…”BUTTONFROMTHETOPBUTTON
BARONTHESPECTRUMWINDOWIFNOTALREADYACTIVE.
3) LEFTCLICK-HOLDANDDRAGOVEREACHINDIVIDUALPEAK(S).ASINGLE
REDVERTICALLINEWILLSHOWUPONTHEINITIALCLICKANDENDONTHEOTHERENDOFTHEREGION.
4) CLICKTHE“DEFINEREGIONS”BUTTONAGAINTODEACTIVATETHE
FUNCTIONONCEFINISHED.USETHELEFTCLICKANDDRAGOVEREACHPEAKTOZOOMIN.
5) SELECTREGIONBYUSINGTHE“SELECT/DESELECTREGION”BUTTONTOPICKANINDIVIDUALPEAKORPEAKSTOADJUSTBIASANDSLOPE.ONCESELECTEDTHEINTEGRATIONNUMBERBELOWWILLHIGHLIGHTINGREEN.PEAKSCANBEADJUSTEDINDIVIDUALLYORASAGROUP.
6) LEFTCLICKANDHOLDOVERTHEBIASORSLOPEBUTTONANDSLIDETHEMOUSEUPORDOWNTOADJUST.THEGOALISTOHAVETHEENDSOFTHEINTEGRALTOBEFLATANDPARALLELATTHEENDS.
7) TOCALIBRATETHEINTEGRATION,SETTINGAKNOWNVALUEOFA
CERTAINPEAK,RIGHTCLICKONTHEPEAKOFINTEREST.APOPUPWILLDISPLAYANDCLICKON“CALIBRATECURRENTINTEGRAL”.ENTERTHEVALUEWANTEDFORTHATPEAK.ALLOTHERPEAKSWILLADJUSTTOTHATVALUE.
SEENEXTPAGEFOROTHERFUNCTIONS
• TODELETEALLINTERGRALSANDSTARTOVERSELECT“DELETEALLINTEGRALS…”BUTTON.
• TOMOVETHEINTEGRATIONLINESONTHESPECTRUMUSETHEARROWBUTTONS.UPANDDOWNARROWMOVETHEINTEGRATIONLINEASETDISTANCE.ALEFTCLICK-HOLDON“UP/DOWNARROW”ANDSLIDEMOUSEMOVETHEMADESIREDDISTANCE.
• TOMAKETHEINTEGRATIONLINESSMALLER/LARGERUSETHEINDICATEDBUTTONS.THE“*2AND/2”EITHERDIVIDEORMULTIPLYBY2.THE“UP/DOWN”ARROWNEEDSALEFTCLICK-HOLDANDTODRAGMOUSEUPANDDOWNTOMAKEITTHEDESIREDSIZE.
• TOZOOMIN,LEFTCLICK-HOLDANDDRAGACROSSTHEDESIREDAREA.
• TORETURNTOTHEPREVIOUSWINDOWSIZE,PRIORTOZOOMING,CLICKTHEBUTTONFORTHELASTWINDOW.
Related Documents
