NUTS

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NUTS NMR Utility Transform Software Acorn
NMR, Inc. Livermore, CA
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Menus where to find things Program basics Base
level and subroutines Mouse functions Keyboard
commands Zoom expansion routine Scaling
data Getting Help Manual Help files Opening data
files Data and import directories Tailer Process
ing Baseline correction of FID Exponential
multiplication FT Phasing Baseline
Correction Integration Peak Picking
Printing Copying Structures on screen MO
subroutine Customizing NUTS nuts.ini
file Automation Command links Macros
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Menus File import, open, save files print, run
macro
Run Macro RU
Open GA
Save SA
Edit Un-Do, copy (Copy options discussed
later)
Import IM
Print PL
Copy Enhanced Metafile Alt-Shift-E
UnDo Z
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Menus, cont. View
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Spectral Parameters
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Menus, cont. Process Conditions linebroadening,
Minimum height, phase parameters Window
functions FT Phase Baseline correction Enter
integration routine Peak pick
Phasing gt
Baseline Correct BC
Quick Baseline QP
Automatic Integrate AI
Peak Pick PP
Integrate Display ID
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Processing Parameters
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? Menus where to find things Program
basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data Getting Help Manual Help
files Opening data files Data and import
directories Tailer Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction Integration Peak
Picking
Printing Copying Structures on screen MO
subroutine Customizing NUTS nuts.ini
file Automation Command links Macros
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Program Basics Scale data with scroll bar, lt and
gt, Page Up/Down Base level
2-letter keyboard commands, same as menu
commands Does not require ltENTERgt to execute
commands

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Press left mouse button to display frequency at
bottom of screen
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To measure frequency differences (coupling
constants) Press and hold left mouse
button Place vertical cursor on one peak Click
right mouse button (do not release left mouse
button) Move cursor to another peak Frequency
difference displayed at bottom of screen
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Subroutines (Zoom, Integration, etc.)
Watch status bar Single-letter keyboard
commands Mouse function varies with
subroutine Exit with ltENTERgt key Dont use
buttons!
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• Zoom subroutine
• Enter Zoom by
• View/Zoom menu
• ZO keyboard command, or
• Double-click left mouse button

• ltENTERgt to exit Zoom
• Ctrl-F for full display, Ctrl-E for expanded
  display
• In Zoom, select zoom region by pressing and
  holding left mouse button, and wipe across chosen
  region
• Avoid single-click of left mouse button (this
  selects a region consisting of a single data
  point)
• Right mouse button toggles between full and
  expanded displays

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?Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data Getting Help Manual Help
files Opening data files Data and import
directories Tailer Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction Integration Peak
Picking Printing Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Help!
Manual 1st 170 pages covers 1D processing
http//www.acornnmr.com/Downloads/NUTSmanual.pdf
Contains command list, table of contents Help
File Table of Contents Keyword index Full text
search Web site http//www.acornnmr.com/NutsHelp
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files Opening data files Data and import
directories Tailer Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction Integration Peak
Picking Printing Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Where are my files? Working data directory
Open (GA) and Save (SA) commands Import
directory where NUTS looks for foreign files
(IM) These paths are defined in nuts.ini, but
change dynamically as files are opened or
saved WP (Which Path) command where am
I? Import data with IM command Save processed
data with SA command What is saved in my
file? Data is saved as you see it on the
screen Integrals, Peak list, etc, saved in file
tailer Auto Tailer Read option under the File
menu controls whether or not integrals, etc,
are read when a file is opened can be set in
nuts.ini file
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction Integration Peak
Picking Printing Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Baseline correct the FID BC to prevent center
glitch
DC offset between real and imaginary FIDs
Offset creates glitch
BC removes glitch
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Exponential Multiplication Set linebroadening
parameter (LB) and execute with EM Improves
signal-to-noise at expense of peak broadening
FT
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Phasing with NUTS Start with QP quick
automatic phasing Touch up phasing with one of
the manual, mouse-driven phase routines
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Manual phasing with mouse Left and right mouse
buttons apply zero-order and 1st- order
correction PH Do this on full spectrum Set
pivot point place cursor and type P
Zero-order correction with left button Adjust
peak at pivot point
First-order correction with right button to phase
the rest of the spectrum
Exit subroutine with ltENTERgt key
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PE Phase Expanded, for more close-up
view define 2 regions, phase each using expanded
display Switch between regions with 2 mouse
buttons To define the 2 regions, use Zoom
select 1st region, type 1
select 2nd region and type 2
Exit Zoom and enter PE routine
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Phase Region 1 with Left button
Phase Region 2 with Right button
Exit subroutine with ltENTERgt key Phase correction
is applied to entire spectrum
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Baseline correction of the spectrum Distortion
can be combination of DC offset removed by
BC Linear tilt removed by BC Higher order roll
polynomial Best method of correction is
dependent on characteristics of each spectrum
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Poor baseline may be most apparent when viewing
the integral if it isnt flat, the baseline
isnt at zero.
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QB (Quick polynomial Baseline correction) works
in most cases, especially if peaks are sharp and
signal-to-noise is good.
More baseline correction features are available
see Help
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer ? Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction Integration Peak
Picking Printing Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Automatic Integration AI Integrates all peaks
above Minimum Height (MH) threshold Sets
smallest integral to 1.0 If full spectrum is
displayed, AI clears previous integrals before
integrating If expanded region is displayed, AI
appends integrals to a growing list, allowing
successive selected regions to be integrated to
create a complete integral list. Scaling is not
re-set for successive regions. Works best for
spectrum with well-resolved peaks and no
impurities
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Manual integration ID subroutine, exit with
ltENTERgt Scaling the integral vs. scaling the
spectrum Correct the baseline, not the
integral! Define start and stop points for each
sub-integral by left mouse clicks Assign a
convenient value to one of the sub-integrals with
V key The scaling factor remains until
explicitly changed, regardless of scaling.
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Whether created automatically or
manually Integrals remain after exiting ID
subroutine Toggle on/off display of integrals
with Ctrl-I (or Tab key) Integral regions remain
defined when you open a new data file Integral
regions are saved with the data User chooses
whether or not integrals are read in when the
file is opened at later date
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer ? Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction ? Integration Peak
Picking Printing Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Peak Picking - PP Set threshold (minimum height)
with cursor and M key or type MH
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Each PP operation replaces previous peak
list Peak list is automatically copied to the
clipboard Peaks outside current display region
are not selected Toggle on/off peak labels with
Ctrl-P or from View menu Labels remain when you
open a new data file Peak list is saved with the
data User chooses whether or not peak labels are
read in when the file is opened at later date
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer ? Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction ? Integration ? Peak
Picking Printing Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Printing PL From inside some subroutines,
command is just P WYSIWYG What You See Is What
You Get Print setup dialog box appears only the
first time you print
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer ? Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction ? Integration ? Peak
Picking ? Printing Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Copying to Word or PowerPoint Options found in
the Edit menu Bitmap Metafile vector drawing
usually better quality For historical reasons,
there are several variations of
Metafiles Enhanced Metafile works best in most
cases Best choice of parameters depends on
starting and final size of image Details can be
found in Help file and manual
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Enhanced metafile probably fine for most
needs If you shrink the figure, text (axis
numbers) may get too small to read
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Copied as bitmap and expanded Screen resolution
is fuzzy
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Enhanced metafile, copied then expanded Note
that numbers on axis are sharp, not fuzzy When
expanded, observe distortion caused by an integer
round-off problem by target application Integer
round-off can be minimized by maximizing size of
NUTS screen
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Round-off problem can be avoided Copied to a file
as enhanced metafile with printer device
context, then inserted and expanded Result is
very high resolution
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Enhanced metafile created with macro Set colors
to black, increased font size When size is
reduced, numbers still readable
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer ? Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction ? Integration ? Peak
Picking ? Printing ? Copying
Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Putting structures on screen - MetaObjects (MO)
subroutine Paste structure from clipboard or
import Windows Metafile (.wmf) If imported from
a file, a pointer to that file will be saved
when the data file is saved, so can be recalled
later Can create, move, re-size multiple
objects Can also be used to create inset plots,
but Inset Plot routine (IS) usually gives better
results
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer ? Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction ? Integration ? Peak
Picking ? Printing ? Copying
? Structures on screen MO subroutine Customizing
NUTS nuts.ini file Automation Command
links Macros
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Nuts.ini text file read by NUTS when it is
launched Contains user preferences for Import
and data directories Automatically read tailer
data when opening a file Default LB
value Automatic peak pick when MH is set with
cursor Un-Do on/off Fonts integral, peak
label Define zoom regions (eg, 0-10 ppm for
plots) Pre-defined command links and
macros Colors Margins Includes description of
each parameter and how to set it
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? Program basics Base level and subroutines Mouse
functions Keyboard commands Zoom expansion
routine Scaling data ? Getting Help Manual Help
files ? Opening data files Data and import
directories Tailer ? Processing Baseline
correction of FID Exponential multiplication FT Ph
asing Baseline Correction ? Integration ? Peak
Picking ? Printing ? Copying
? Structures on screen MO subroutine ?
Customizing NUTS nuts.ini file Automation Command
links Macros
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Automation Command links frequently used
string of commands LI display link definitions
(set by nuts.ini) A (where 1, 2, ) executes
the corresponding Link Example for routine
processing bc em ft qp Macros text files
containing NUTS commands More flexible and
powerful than Links
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NUTSMACRO auto-1D batch processing FT,
auto-phase and baseline correct set lb 0.3 set
zoom region 5 to 10-gt0 ppm, for plotting set
zoom_region 5 10 0 set zoom region 6 for
aromatics set zoom_region 6 9 6 set zoom_region
7 to downfield region set zoom_region 7 15 10
set zoom region 0 to TMS set zoom_region 0 .3
-.3 loop 27 45 pf idcm iscm f af mf ff bc ft
ap it em ft ps z0 e sz z5 initialize size
position for first IS inset 2f is xsize .55, is
ysize .5, is xpos 0, is ypos 0, 2n, display
aromatics full scale and create inset z6 e mf
isam
initialize size position for downfiled IS
inset 2f is xsize .25, is ysize .1, is xpos 1, is
ypos 0, 2n, increase vertical scale 3x and
create inset set ac 3 ac z7 e isam display
10-gt0, adjust scale, PP and enter integration z5
e set ac 0.1 ac set MH for peak picking set
mh 10 pp auto-integrate set mh 1 ai an save
processed file sa end
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Advanced Features 1D Inset plots Text
annotation Interactive baseline
correction Line-fit (deconvolution) Spectrum
simulation from chemical shifts and
couplings Linear prediction Dual
display Add/subtract Stacked plots Math 2D
processing and display
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The End