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 |
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 +135°C) 58
vi Repeated Temperature Calibration runs on EthGly 59
vii Temperature Calibration on CH3OH (-98 to +400 °C) 60