Command Summary for QE 300 NMR

General Commands
a Y-Scale Plot to CM Height YS
b Manual Y-Scale YF
c Run Linked List of Commands AU
d Create Linked List of Commands LI
e Exit CHARM to KBM MO
f Return to CHARM from KBM CHARM
g Control Characters
    i Abort
        (1) Abort current operation ^O
        (2) Abort Plotting ^P
        (3) Abort Data Acquisition ^Q
        (4) Abort AU routine ^H
        (5) Abort Everything ^C
    ii Display
        (1) Hz/ppm Toggle ^A
        (2) Expand display ^E
        (3) Full Display ^F
        (4) Noise Reduction in Display (toggle) ^N
        (5) Print to printer or plotter (toggle) ^W
        (6) Text display (toggle full screen) ^T
        (7) Automatic Y-scale ^Y
        (8) Scale display up by two >
        (9) Scale display down by two <
    iii Output to disk (Toggle on and off) ^G
    iv Select printer device (Toggle between printer and plotter) ^W

Sample Control
a Eject Sample (<RETURN> to load) EJ
b Adjust Spinner Air Flow (Use to turn air on, adjust with knob) AA
c Turn Spinner Air Flow Off AF
d Turn Spinner Flow ON AN
Setup Magnet For New Sample
a Locking (See page 3-37)
    i New Solvent (Sets Lock Offset) NS
    ii Lock Signal Display LD
        (1) Sweep Display/Meter Display (toggle) S
        (2) Lock type (Fast/Slow/Standby toggle) L
        (3) Shim with Knob K
            (a) Air off A
            (b) Coarse Gradients C
            (c) Nonspin gradients N
            (d) Spin gradients S
        (4) Quit <return>
b Shimming (See page 3-20)
    i Wonder Shim WS
    ii Shimming Macro XM, 64, <return>
Setup Computer for new experiment
a User (set user) US
b Change Current Nucleus CN
c Quadrature Detection On/Off QP
d Reciever Setup
    i Set Receiver Gain Automatically SG
    ii Receiver Gain GN
    iii Receiver Attenuation RA
    iv Receiver Gate (to avoid overload after pulse, 1 ms minimum) RG
e Selecting the experiment (See page 3-16)
    i List Pulse Sequences LX
        (1) Load experiment L
        (2) Show pulse sequence S
        (3) Print sequence (to ^W device) T
        (4) Alter listed experiment A
        (5) Change fitting function F
        (6) Delete experiment D
        (7) Next experiment in library <return>
        (8) Quit Q
    ii Select Pulse Sequence EX
    iii Define new Pulse Sequence (see 3-106) NX
f Decoupler (See page 3-30 for details)
    i Switch Decoupler (On/Off) DN or DF
        (1) 90/180 square wave 1
        (2) MLEV-64 modulation (this one works best) 2
        (3) WALTZ 16 modulation 3
        (4) CW output (For selective decoupling) 4
    ii Select Decoupling Frequency (ppm, Hz)F2, H2
    iii Select Decoupling Power (enter attenuation, start with 2800,Changing this value turns decoupler off, use DN to restart decoupler) L1, L2
    iv List of Decoupling frequencies CD
    v Enter Decoupler Frequency Via Cursor (for list of decoupling frequencies) EF
g Macro's
    i Execute Macro XM
    ii List Macro LM
Acquisition Parameters
a Default Values for Parameters P^D
b Number of Acquisitions NA
c Setup Sampling Parameters
    i List Parameters LP
    ii Spectrometer Frequency Set (MHz) SF
    iii Spectrometer Frequency (Set with Cursor) TH
    iv Offset (Spectrum in Hz) OF
    v Spectral Width (Hz) SW
    vi Observe Current Window (Defines SW and SF after Zoom on spectrum) OW
    vii Auto Setup of SW, DW and SF ParametersAW
    viii Change Size of Current Block (This changes the acquisition time and resolution) CB
    ix Dwell Time per Point (This changes the spectral window) DW
d Pulse Lengths and Delays D#
    i Delay from List D1
    ii Acquisition Time (Do not set here, use [CB} to set) D2
    iii Recycle Time D5
    iv Delay with Incremental Change D8
    v Increment For D8 Delay I8
    vi Define Pulse Width (in ms, or in degrees ie: 90D) P#
    vii Pulse from List P4
    viii Pulse with Incremental Change P5
    ix Increment for P5 Pulse I5
e Start Acquisition
    i Begin GO
    ii Zero and Begin Acquisition ZG
    iii Collect Data and Store on Disk GS
    iv Zero, Wait for Trigger, Go, and Store to disk GX
f Timing for experiment
    i Time for a single acquisition AT
    ii Total Time for experiment TT
    iii Elapsed Time TE
6 FID Processing a Baseline Correct current block BC b Zero Fill FID ZF c Apodization Functions (See page 3-53) i Define Line Broadening Factor for Apodization Functions LB ii Exponential Multiplication (Positive value of LB improves S/N) EM iii Double Exponential Multiplication (Improves resolution) DM iv Gaussian Multiplication (Improves resolution) GM v Sine Function MS vi Multiply by constant MK vii Trapezoidal Multiplication (With T1 and T2) TM d Transforms i Fourier Transform Data FT ii Inverse Transform SpectrumIT iii Real Transform RT iv Define Spectrum Scaling Factor AK v Scale Spectrum to Current AK valueAI 7 Spectrum Processing a Phasing Spectrum (See page 3-60) i Auto Phase Displayed Spectrum AP ii Phase spectrum to previous correction PS iii Define Zero Order Correction PA iv Define First Order Correction PB v Phase Spectrum with PA and PB PC vi Phase Expanded Regions of Spectrum PE vii Baseline phase (after AP and BF to fine tune phase)BP viii List Total Phase Corrections TP ix Adjust Baseline (1) Baseline Correct Spectrum (offset only) BC (2) Baseline Fix Spectrum (for zoom region, offset and tilt correction) BF (3) Baseline Fudge (Set multiple baseline points) FB (4) Interpolate Baseline (offset, slope, and curvature) IC b Peak Picking Routine PP i Spectrometer Frequency F ii Move to Left, Next, Right peakL, N, R iii Minimum peak height M iv Set Offset at current peak O v Stop S vi Zoom Z vii Quit<return> c Zoom (^E to expand to zoom region, see page 3-73 for details)ZO i Integrate I ii Noise (Define noise region for S/N) N iii Peak picking routine P iv Set observation window to expanded regionO v Exit<return> d Integrate Spectrum of Displayed Region (See page 3-78) ID (or I from PP) i Adjust Slope of Integral <left> or <right> and Knob ii Adjust Curvature of Integral<up> or <down> and Knob iii Increase Y-Scale of Integral I iv Decrease Y-Scale of IntegralD v Cursor Mode C (1) Define Integral (Sets value between cursors) K (2) Output Integral (Reads value between cursors) O (3) Zero Integral Z vi Scale integral S vii Breakpoints B viii Zero integral Z ix Plot Integral P e Calculate S/N of Peak SN f Extract part of a spectrum XT 8 Plotting Commands a Types of Plots (USE YS to scale before plotting) i Plot Displayed Region PL ii Plot Spectrum and Draw Axis PX iii Stacked Plot (see page 3-92 for details) SP iv Stacked Plot on Video Display SV v Contour Plot of 2DNMR Data CT vi Contour Video Display CV vii Plot with Y-OffsetOP viii Registered Plot (Zoom on section of plot) RP b Plotting Parameters i Plot Offsets (X and Y offset for stacked plot) PO ii Y-Scale (Automatic) YS iii Y-Scale (Manual)YF iv Orientation XY c Labling Plots i Draw a Labled Axis Under Plot AX ii Draw Axis under Plot with Y-OffsetOX iii List Experimental Parameters ZL iv Label Peaks ZP v Label Last Plot with Filename, User, Date, and Comment LA vi Label Plot with AX, LA, LO, and ZL LC vii Plot Text Entered at Keyboard PT viii Box around Current Plot BX ix Mark Box with Tick MarksMX x Tabulate Peak Data (To ^W device) TA File Commands a Save Dataset A or B SA, SB b Save zoom region of spectrum XT c Directory of Files DI d Delete a Dataset DL e Get Dataset A or B (Retrieve File) GA, GB f Increment File extension for Dataset A/B IA, IB g File Transfer i On PC (1) Open Kermit from DOS Programs window (2) Place kermit in server mode server (3) After file is transfered, exit kermit exit (4) Open FTP program in IBM Internet Connection window (5) Open connection to science open science (6) Login to Science (7) Set for Binary Transfer I (8) Send File send <filename> (9) Exit FTP by ii On NMR (1) Exit CHARM software MO (2) Kermitkermit (a) Comm Line E (b) Rate 19200 (3) Send fileS <filename> (4) Close Kermit Exit (5) Return to CHARM CHARM Pulse Sequences Available Appendix H a Single Pulse Experiments i Single Pulse Sequence 1PULSE ii One Pulse with Decoupler Presaturation PRESAT iii One Pulse, Decoupler On During Acquisition (Decoupled, no NOE) 1PDNA iv One Pulse, Decoupler Off During Acquisition (Coupled with NOE)1PDFA v Select Pulse from List (P4) PLIST b Relaxation Experiments i T1 Measurement by Inversion-RecoveryT1IR ii T1IR with GROPE-16 Inversion T1GROP iii T2 Measurement by Hahn Spin Echo T2HSE iv T2 Measurement by Hahn Spin Echo, observe starts after pulseMT2HSE c Solvent Supression Experiments i 1331 Solvent Suppression Sequence 1331 ii 11 Solvent Suppression Sequence 11 d Miscellanious 1-D Experiments i Attached Proton Test ExperimentAPT ii Distortionless Enhancement by Polarization Transfer DEPT e Miscellanious 2D Experiments i COSY Experiments (1) 2D Homonuclear J-Correlation COSY (2) Homo-Decoupled 2D Homonuclear J-Correlation HDCOSY (3) Hypercomplex Phase Sensitive Double Quantum Filtered COSYCOSY2Q (4) Quick COSY Hypercomplex/TPPI QKCOSY (5) Delayed COSY DCOSY (6) Relay COSY RCOSY (7) Double Relay COSYDRCOSY (8) COSY with presat during D5PRCOSY (9) Phase Sensitive Homonuclear J-Correlation TPCOSY ii Hetcor Experiments (1) Heteronuclear Chemical Shift Correlation CSCM (2) Heteronuclear Chemical Shift Correlation (Broadband)CSCMBB (3) Long-Range C-H CorrelationCSCMLR (4) Coupled Long-Range C-H CorrelationCPLRCH (5) Phase Sensitive Heteronuclear Chemical Shift Correlation PSCSCM (6) Phase Sensitive CSCM Hypercomplex/TPPI HTCSCM (7) C-H Correlation CHCOR iii NOESY (1) Correlation 2DNOE (2) Phase Sensitive 2D Cross-Relaxation and Chemical Exchange Correlation PSNOE (3) PSNOE with Presat during D5PPSNOE iv Misc Experiments (1) 2D Double Quantum Correlation JCC2D (2) Homonuclear J-Resolved 2D 2DHOJ (3) Two-Dimensional Cross-Relaxation Correlation and Chemical Exchange (4) Bilevel Decoupling- CW Mode During Acquisition BILEV (5) Selective INEPT INAPT (6) CHCOR for Long-Range 13C-1H J Correlation LRCOR (7) 2DINAD 2DINAD MACRO'S Macro Number a Setup, Parameter, and General Macros i Shim 5 mm Probe on Lock Signal 64 ii 1-1 Water Supression7 iii Noise Figure Test 57 iv CHARM Setup Macro 62 v D6 & D7 Value Entry for DCPK 90 & 180 63 b Proton NMR Macros i Auto Proton 41 ii Proton Survey with Integral 1 iii 1-H/13-C/APT Survey 3 iv Proton Survey in D2O Solvent6 v 1-H Observe, PW Test, 80% CHCl3 in C6D6 51 vi 1-H/13-C/HTCSCM with Auto Windows 33 c 13-C NMR Macros i Auto Carbon 42 ii 13-C Survey, acquire data until S/N > V0 2 iii 1-H/13-C/APT Survey 3 iv 13-C and APT, Acquire Data Until S/N > V0 4 v 13-C and Edited DEPT with shift tables5 vi 1-H/13-C/HTCSCM with Auto Windows 33 vii 13- C Observe, PW Test, 80% CHCl3 in C6D6 52 d APT Macros i 1-H/13-C/APT Survey 3 ii 13-C and APT, Acquire Data Until S/N > V0 4 iii HTCSCM & APT, Enter Window Values 32 iv Auto HCAPT 43 v Auto CAPT44 e 2D NMR Macros i COSY Experiments (1) Quick COSY, 87 to -03 ppm, TT = 14 min 21 (2) COSY, Enter Window, NA, & D5 Values 22 (3) COSY2Q, 2k by 2k, Enter Window Values 31 (4) COSY/RCOSY/DRCOSY Data Collection 35 (5) COSY/RCOSY/DRCOSY Data Process36 ii NOESY Experiments (1) NOESY, 87 to -03 ppm 23 (2) NOESY, Enter Window Values 24 (3) PSNOESY, 87 to -03 ppm 29 (4) PSNOESY, Enter Window Values 30 iii HETCOR Experiments (1) HTCSCM for 02 M Solutions, TT = 9 min 25 (2) HTCSCM for 01 M Solutions, TT = 30 min 26 (3) HTCSCM for 005 M Solutions, TT = 15 hrs 27 (4) HTCSCM & DEPT, Enter Window Values 28 (5) HTCSCM & APT, Enter Window Values 32 (6) 1-H/13-C/HTCSCM with Auto Windows 33 (7) HTCSCM & CPLRCH (Pen #2) 34 iv Misc Experiments (1) NOE Difference 8 (2) 13-C and Edited DEPT with shift tables5 (3) Selective INEPT (INATP) 9 (4) INAPT Decoupler Parameter Entry 61 f Misc Macros for Calibration i Gamma H2 Calib, 80% CHCl3 in C6D653 ii DEPT Calibration Test, 80% CHCl3 in C6D6 54 iii Complete Calibration Test, 80% CHCl3 in C6D655 iv Repeated Gamma H2 Calibration, 80% CHCl3 in C6D6 56 v Temperature Calibration on EthGly (RT to +135C) 58 vi Repeated Temperature Calibration runs on EthGly 59 vii Temperature Calibration on CH3OH (-98 to +400 C) 60
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Scott Van Bramer<BR> Department of Chemistry</A><BR> Widener University<BR> Chester, PA 19013

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Last Updated 1/5/96