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Concepts in Magnetic Resonance, 1990, 2, 131-149

The Ancient and Honourable Art of


Shimming

Gwendolyn N. Chmurny. and David I. Hoult

Program Resouneg Inc..


National Cancer Inrtirutc
Frederick Cancer Resemh and LkveIopment Center
Frederick, M q M 21 701

Received May 4, 1990

The fundamental physics underlying the art of shimming a high-resolution


N M R superconducting magnet is described, and the rationale of the design
of shim coils, together with their various appelations, is discussed. The
effects of the various shims on a free induction decay and the ensuing
spectrum are illustrated, and the use of a spinning sample is advocated for
rapidly diagnosing and eliminating field inhomogeneity. The problems
caused by impure shims and interactions among orders are highlighted, and
the reasons for the interactions are given, together with strategies to help
combat their time-consuming and destructive effects.

INTRODUCTION
It could be argued with some vehemence that the biggest bane of a high-resolution N M R
spectroscopist's existence is the ritual of "magnet shimming." This black art can provoke hyperbole
and hypertension, and over the years, based on an inadequate understanding of a complex
phenomenon, many myths concerning shimming have arisen. Thus, our aim in this article is two-
fold. First, we shall explain the origins of magnetic-field inhomogeneity and the mathematical
analysis that leads to the concept of shimming. Second, we shall explore some of the many practical
factors that complicate the basic theory and that lead to the complexity that often results in intuition
and art, rather than science, controlling the shimming process. We hope, in so doing, to reduce the
average blood pressure of N M R spectroscopists!
It is well known that, to obtain the best resolution and signal-to-noise ratio in a spectrum, the
main magnetic-field strength, over the sample volume from which signal is collected, must vary by
no more than a fraction of the width at half-height of the narrowest spectral line. Thus, when pencil
is first put to paper in the design of a magnet, the desired "active volume" plays a major role in the
designer's calculations. However, when the magnet is made, there are inevitably fabrication errors.
Furthermore, gravity and the intense magnetic forces between conductors cause deformations in the
magnet geometry that thwart the designer's expectations. The field is therefore inevitably
inhomogeneous-it varies from one spatial position to another in the region that the sample will
finally occupy. Instead of being invariant to the order of 5 parts in 10;' it may well be homogeneous
to only one part per million. Before the advent of high current-density superconductors, most
magnets were made of iron. To render the field more homogeneous, the positions of the pole pieces

131
Chmurny and Hoult

were adjusted with the aid of "shims" - an eighteenth century term for thin slips or wedges of metal
used in machinery to make parts fit. The term has carried over to electrical adjustments, but
"shimming" is still the preferred usage, in contrast to "tuning," which is reserved for adjustments
involving frequency. One shims a magnet and tunes a pre-amplifier.
Any material placed in the bore of the magnet after fabrication - the shim coils, the probe, the
sample itself- will also change the field, and such changes can be dramatic relative to the superlative
homogeneity that NMR demands. For example, the ordinarily small changes of parts per million that
a water sample can inflict can be devastatiug on a scale that measures changes in parts per billion,
while an inadvertent excess of solder on the wires of a receiving coil can irrevocably spoil the
performance of an otherwise immaculate probe. It follows that probe design and sample shape are
important factors in the quest for homogeneity. However, rather than delve further into such
minutiae, many of which are covered in detail by Derome ( I ) , let us examine the attributes of an
inhomogeneous field so that we may better understand the rationale of shimming.

MATHEMATICAL ANALYSIS
In any discussion of inhomogeneity, it is important to keep f m l y in mind that we are talking
about the way in which the main magnetic field B, (and hence the Larmor frequency) varies over
a three-dimensional sample. Conceptually, the way to do this is to break the sample down into a
large number of small volumes. Each such elementary volume, at its own particular point P in
space, has its own Larmor frequency and also, if necessary, its own rotating frame. Yet each volume
is still a macroscopic sample containing, say, 10" nuclei. Our first task then is to find how the field
may vary spatially from volume to volume. This can only be done mathematically, but it is hoped
that the figures and graphs in the article will aid in the comprehension of equations and build
intuition.
The equation that governs the behavior of the field in the bore of a superconducting magnet is,
to high accuracy (2),

d2 +-
d2 + ">Bo = o or V2B, = o
dx2 dy2 dz2

In the usual way, the z axis is that of the magnet and B, is the main field, which is also in the z
diredion. The derivation and solutions of this equation, first formulated by Laplace, are given in
many standard texts (3, 4, and the form of the solutions depends on the coordinate system chosen
for the analysis. Traditionally, the approach first used by Golay ( 5 - 7 ) is employed, and the
calculation is performed in the spherical polar coordinates of Fig. 1. The magnetic field is then

Pire 1. Cprtcsipn (x, y, z) and Spherical Polar Coordinates (r, 8, 4). When the sampk is
spun, it k usuaUy around the z axis, and thus azimuth 4 increases with time.

132
The Anaeat and Honourable Art of Shimming

described by the expansion in spherical harmonics:

The term (I is the average magnet radius and C,, and $,, are constants. With appropriate values
of the latter, this equation can describe any static magnetic field in a region of space through which
no electric current flows, and so it is appropriate for our purposes.

The functions P,,(cosO) are polynomials in ms8, and when rn = 0, P,o(cosO) are known as the
Legendre potynornials. (The subscript zero is usually dropped, leaving P,(cosO).) The fvst few are
shown in Table 1. Inspection of Eq. [2]shows that when rn = 0, the field has complete cylindrical

TABLE 1
Legendre Functions

where u = a s 4

symmetry: All variation of Bo with 4 disappears as the final cosine term is unity. When rn = 0,
the functions in Eq. [2]are called wnul harmonics, and the zonal field is given by

Now while these equations characterize the zonal field over the entire volume of interest (i.e., at all
values of r and 0 ) , a major simplification occufs when we examine the Bo field at various points P
on the z axis (i.e., O = 0. We see from Table 1 that when B = 0, P,(cosO) = 1, and from Fig.
'
)
1, r is synonymous with z. Thus Eq. [3] becomes

i.e., a simple Taylor series. It follows that if we can somehow plot the field along the z axis
(perhaps with the aid of a tiny, movable N M R sample and probe or even with imaging techniques)(8),
we may determine the coefficients Cno,and we then know the zonal field at all points in space. (In
practice, line-shape imperfections and errors in positioning render this approach a little unreliable,
and it is better to plot the field over the whole region of interest.)
Turning to the remaining harmonics for which rn is not zero, we note that the final cosine term
in Eq.[2]ensures that as we move in a circle around the z axis (as, for example, does an elementary
volume in a spinning sample-see Fig. l), the field oscillates at harmonics of the fundamental
frequency, i.e., as 4, 24, 34, et cetera. Note that each harmonic has its particular phase $,,, the

133
Chmurny and Hoult

spatial azimuth at which 4 = $”,,, and the harmonic is largest. Harmonics for which m + 0 are
called msem2, and we shall see that division of spherical harmonics into the two subsets, zonal and
tesseral, is of considerable importance when the sample is spinning. The functions P,,(cosd) are the
associated Legendm pdynomials, and several are listed in Table 2. The term n is commonly referred
to as the order of the polynomial and its corresponding harmonic, and m is referred to as the & p e .
(Some authors, unfortunately, reverse this notation.) Note that along the z axis ( d = 0), P,,,,(cose)
are zero, thanks to the sine term at the head of the expression (see Table 2).

TABLE 2
Assodated Legendre Functions

P,,(U) = sine
Pu(u) = 3sinecose P&) = 3sin2e
~ ~ ~ -
=( 0y 2)s i n e ( 5 ~ % 1) P&) = min2ecose
P&) = lssin3e
P&) = y2/,sine(7cos3e - 3 ~ 0 s ~ )

where u = CoSO

Of all the constituents of Eq. [2], only one represents a homogeneous field (i.e., a field that has
no variation with r, 4 or 4) -the one for which n and m are zero. This can be verified with the aid
of Tables 1 and 2. It follows that, for our purposes, all the other harmonics are error terms that
describe the inhomogeneity in the field, and somehow we must remove them. Because there is an
infinite number, this task is herculean, but an advantage of the chosen particular solutions of
Laplace’s equation is that, at some point determined by the stringency of our homogeneity
requirements, the higher-order terms in Eq. [2] must become negligible in the region of interest.
As we are usually interested in a sample volume of a few milliliters at most, terms of the form
(r/u)” of order n higher than four or five are usually (and mercifully) negligible for r/u << 1. Of
course, the larger the volume of interest, or the more accurate our description of the field must be,
the more terms in Eq. [2] are needed for the description.
A full description of the field in the active volume of a magnet is obtained by field plotting with
the aid of a small N M R sample. For example, it is routine, when N M R imaging magnets are
installed, for azimuthal plots at various cylindrical radii and z positions to be made in order to
monitor the on-site behavior of the magnet. A typical azimuthal plot is shown in Fig. 2, and a
Fourier analysis will reveal the various degrees m present. The variation as sb4, along with higher-
degree terms, is very evident. This technique has much to recommend it, and is widely used by
magnet manufacturers. However, as the manufacturing of the specialized probe needed to map the
field of a high-resolution magnet is beyond the capabilities of most laboratories, we will not pursue
this interesting subject further, and instead refer the reader to the literature (8, 9 ) for more details.
The Ancient and Honourable Art of Shimming

100
1 Frequencyfi
in Hertz
r = 5 cm, e = 9 0 °

Azimuth in Degrees

Figure 2. A Typical Variation of Proton Larmor Frequency With Azimuth 4. The plot was
taken from a 3O-cm-bore imaging magnet in the central x y plane at a radius of 5 cm,and a first-
degree variation as approximately sin& is clearly evident. However, the distortion in the sine
curve shows that higher d e w also are present, and an accurate analysis can, of course, be
obtained with Fourier techniques.

SHIM COILS

The obvious way to improve the homogeneity of a field is to introduce extra fields that cancel
the unwanted harmonics in Eq. [2], a concept developed by Golay (5-7). To do this, specialized
coils must be wound, each of which aims, when current is passed, to produce a single harmonic - a
field with a spatial variation described by one, and only one, of the terms in Eq. [2]. The current
in that coil may then be adjusted to cancel exactly that portion of the inhomogeneity described by
this particular spherical harmonic. In essence, we are removing one of the terms in Eq. [2].
However, such a task is more easily described than performed. In practice, a pure single harmonic
is never generated by a shim coil; there are always higher orders present which are sigtdcant at
large values of the radius r. Also, fabrication errors ensure that a shim designed to produce a high-
order field always generates small amounts of lower orders, which are signifcant at small values of
r. For example, suppose a "z3"correction has a 5% linear error term so that the field produced
along the z axis is described by B, = 0.05~+ zf When z = 1, the cubic term is 20 times larger than
the linear term. However, examine the situation when z = 0.1. While the design of shim coils (10)
is only of academic interest to the average spectroscopist, the effects of design compromises and
winding errors can have dramatic practical influences, so we will examine these effects in more detail
below. It is no exaggeration to say that most of the problems of shimming stem from them.
However, for the moment, let us assume that all is perfection and that the labels on the shim set are
accurate.

The labels "z","x2 - y2", and so on, on the potentiometers that set the currents in the shim coils
are simply appelations for the various spherical harmonics of Eq. [2]. We wonder why a Cartesian
rather than a polar notation is used, the indices n and rn immediately convey the exad form of the
field, while the Cartesian notation is, in some instances, inaccurate. Thus we speak of the "two-one"
(n = 2, m = 1) or "three-two"(n = 3, m = 2) shim. To convert from one form to another, as in
Table 3, is a simple but tedious algebraic exercise, for example, the "three-one" harmonic shim gives
Chmurny and Hoult

blC= 3r3-
a31c131r s;le(5cos2e - 1)cosd =
3x
-
a3,c13,c (42’ - x2 - y’)
2 2

where a31e is a constant and Z3lC is the current in the shim coil, and this is abbreviated to “z’x”,
which is misleading. (Whenever x or y occur in an appelation, the relevant shim is a tesseral
harmonic.) Equation [2] shows that we also must be able to adjust the phase $,,, as well as the
amplitude C,,,of a harmonic to achieve complete cancellation. Thus, for example, if g3,were 45;

TABLE 3
Cartesian Representation of Spherical Harmonics

Order n Degree m Function Common Name

1 0 Z Z
2 0 22’ - (x’ + y’) 2’
3 0 z[2z2 - 3(x2 + y’)] z3
4 0 8z2[z2- 3(x2 + y’)] + 3 ( ~ ’+ y’)’ 2‘
5 0 48z3[z2- 5(x2 + y2)] + ~ O Z ( X ’ + y2)’ zs
1 1 X
1 1’ Y Y
2 1 ZX zx
2 1’ ZY ZY
3 1 x[4z2 - (x’ + y’)] Z’X
3 1’ y[4z2 - (x’ + y’)] Z’Y
2 2 x2 - y 2 x’ - y’
2 2’ XY XY
3 2 z(x’ - y 2 ) z(x2 - y’)
3 2’ XYZ ZXY
3 3 x ( x 2 - 3y’) x3
3 3’ Y(3X2 - Y’) Y3

we might consider rotating by 45” the shim coil that produces the field of Eq. [q. However, such
an arrangement would be cumbersome, and in practice, a second shim coil that produces a sinusoidal,
rather than a cosinusoidal, dependence on $ is added

By linear combmtion of the two, with the appropriate current adjustments, any amplitude and phase
can be generated.
Typically, a manufacturer may provide as many as 18 shim coils, the currents for which are set
either with potentiometers or by the instrument’s computer viu digital-to-analogue converters.
However, to determine the correct settings, we must have a measure of the quality of the field, or
conversely, an indication of the error. Alternatively, as has already been mentioned, a field map may
be produced by imaging techniques, and the shim settings can then be set automatically by the
computer. The indicator provided by the spectrometer manufacturer is often the level of the
deuterium lock signal, and to put our shimming task in mathematical terms, we must search for the
global maximum on the error surface in the shim set hyperspace. In other words, we are searching
for a maximum lock signal, with, say, 18 variables to adjust, in the possible presence of many inferior,
The Ancient and Honourable Art of Shimming

false maxima. Most readers will need little reminding that such a process is tedious, diffcult, and
frustrating, and we therefore look more closely at why there are false maxima.

ORTHOGONALITY
In an ideal N M R spectrometer, each shim coil would produce a sole harmonic. Furthermore,
the sample would be a sphere in a probe having a homogeneous B, field. Under such ideal
conditions, the shim current settings are otthopnal, i.e., there are no interactions among the shims,
and a single pass through the 18 potentiometers, maximiking the deuterium lock signal progressively,
suffices to render the field homogeneous. Clearly, the average instrument bears no relation in its
construction to this ideal. Quite apart from imperfections in the design and manufacture of the shim
coils, the sample is not a sphere, but usually a long cylinder whose effective length and shape are
determined by the B, field distribution. Moreover, that field distribution, when observing deuterium,
may differ from that obtained when monitoring some other nucleus.
To see how the effective sample shape can greatly influence the ease of shimming, consider an
extreme example (Fig.3a). The sample is long and thin, and the probe is unfortunately above the

Inhomogeneily = a + bz - cz2
Signal 1 (E,)

a)
Sample
AEO I I Axial position

figure 3. Effects of Sample Displacement. In (a), the sample's effective position (determined
by the location of the B, fzld) is displaced from the origin, and it if in an inhomogcncous B,
field d e s c n i by +z and -2' terms. In (b), the effect of correctly adding a t z 2 component
to the field is shown. The homogeneityworsens,and the operator therefore incorrectly reverses
2' to reach the false optimum shown in (c).

center, or origin, of the shim coil set; r = 0 in Eq.[2]. In addition, the inhomogeneity, or error, in
the field is described by an equation of the form AB, = u + bz - cz? To simplify matters, we will
also restrict ourselves to the use of only the "z" and "z2" shims in this one-dimensional example.
Because the sample tube is long and full, there is sample at the origin (z = 0 in Fig.3), but the B,
field from the probe is negligible there, and so the distribution of signal versus z is effectively as
shown and is centered at z = z,. (Note, however, that this distribution can change with flip angle.

137
Chmurny and Hoult

Consider the effect of a pulse that inverts magnetization in the middle of the region.) Suppose the
operator, not knowing the form of the field error, reaches first for the "z2"shim and adds a +z2
field. (It is quite clear from the curvature of B, versus z in the figure that +z2 should be added to
annul the curvature.) When this is done, as shown in Fig.3b, the homogeneity worsens. The
operator therefore reverses the potentiometer, thereby increasing the curvature of B, Ti. 3c), but
at the same time flattening the field about z = z,, and mjhimiziq the frequency spread over the
effective sample volume. To his surprise, when he turns his attention to the z shim, little or no
adjustment is needed, and he incorrectly assumes that he has reached a lock-signal maximum. He
has, but not the global maximum, as is evidenced by the poor line-shape in his experiment. Knowing
the original inhomogeneity, as shown in Fig.3%we can see that -2 and +zz were needed, but the
operator had no way of knowing, and only by starting from a different point on the error surface,
as shown in Fw 4, can he reach the global maximum. The cause of the problem is that the sample

Shim settings

Figure 4. A Onedimensional Representation of an Error Surface. By starting at point A, a


scheme that simply maxim& the lock signal will attain the local maximum B. To reach the
global maximum C, a starting point in the vicinity of D or E must be used.

is centered not at z = 0, but at z = z,. Thus, relative to this point, z becomes (z' + z,) and
AB, = a2Z2z2becomes

and there is a strong linear component ( 2 2 , ~ ' )in the field. In other words, the "z"and "z2* shims
interact.

Extrapolate this simple one-dimensional situation to a three-dimensional sample, 18 shim coils,


and an unknown effective sample shape (i.e., B, field distribution), and the reasons for the difficulty
of shimming become very apparent (22). Of prime importance are a well-centered probe at the
origin of the shim set, a knowledge of the effective fields produced by each shim, a knowledge of the
B, field, and an error indicator that is better than a simple lock signal. We therefore suggest that
the reader "play with the shim potentiometers, using a long, spinnable sample (T,, T, 1 s) that -
gives a single spectral line of great signal-to-noise ratio, and reproduce some of the conditions and
figures that follow, remembering that machines differ. However, note the potentiometer settings first!

SOME PRACTICAL BEGINNINGS


A major clue in Eq. [Ithat all is not well is the term ~ ~ 1 In~ other 2 ~ words,
. as the shim
current is changed, the field offset changes, as shown in Fig.3. (However, beware! Some shims,
notably "z'" and "z'", may be designed in such a manner that they also add an offset,and they might
ixiteract with the magnet so that the field changes for several seconds after the potentiometer is
turned. This is not the case for "z", "z3*,and "z'".) Observation of the lock signal will not reveal
this change, because the lock counters the offset, and therefore in all that follows, we advise working
with the lock turned off, and observing the free induction decay (FID) and spectrum. (A well-shaped
FID and spectrum are shown in Fig.5a.) Regrettably, many modern instruments do not display the
FID,but it is usually possible to extract it from a connector in the instrument and observe it with
the aid of au oscilloscope, triggering the devie in w m i s off the FID itself. Such an arrangement
The Ancient and Honourable Art of Shimming

Figure 5. Effect, on our Instrument, of Offsetting the "z' Shim. A "good"FID and a spectrum with
small spinning sidebands arc shown (a), but when the "z. shim is changed @), a characteristic beat
in the PID is obtained, and the spectral line broedens and manifests structure that is an indicator
of B, inhomogeneity.

is very flexible, and the analogue display of an oscilloscope, together with its versatile timebase, gives
a signal that is more easily assimilated than is a digitized computer display.
Of great interest is simply to change considerably the "z"shim while observing with, say, a 10"
pulse, the nonspinning sample. A typical FID and spectrum are shown in Fig. 5b, and there is much
information, for the "spectrum" is a direct representation of B: versus z (12). The reason for this
is that the linear gradient renders the B, field (i.e., the Larmor frequency) and distance z
synonymous:

Aw, = -yABo = -ya,Z,z 181


This equation is the basic principle of imaging (13). (Here A@, is the frequency shift and -y is the
gyromagnetic ratio.) Thus, the frequency axis of the spectrum is a representation of distance z . On
the other hand, by the principle of reciprocity (8, M),the received signal from an element of sample
at position z is proportional to the magnetization at that point and to B,(z)sin[yB,(z)~],where T is
the pulse length. Thus, for a long, even sample and a small flip angle, the signal from the element
is proportional to Bt(z) as the magnetization is invariant with distance. (The reader may wish to try
varying the "x" and "y" shims as well.) We can see in Fig. 5b that the spectrum has peaks caused
by local maxima in B, close to the probe coil conductor, and it is not uncommon for neophytes to
interpret such peaks as genuine splittings. However, because we know that our spectrum has but a
single line, such a splitting is immediately an indication of a field gradient across the sample.

However, as we change the current in the "z"shim, of even greater importance is whether the
center of gravity of the spectrum shifts. If it does, the average field at the sample is changing, the
effective center of the probe does not therefore coincide with the origin of the "z"shim, and one or
the other is incorrectly positioned, because the "z" shim has no inherent offset in its design and
should not interact with the magnet. It may be the shim that is in error if the discrepancy is only
a couple of millimeters because the shim manufacturer has staggered the coil windings slightly so
that, for example, the windings for "2" and "z3"do not overlap. However, a gross change, compared
to the spectral width, indicates a major error in probe positioning, and a manufacturing error should
not be totally discounted. Other common sources of apparent misregistration are a sample tube that
is too high in the spinner or one that contains a short sample. We cannot stress too strongly how
important it is to have accurate registration of the sample and shim coil centers - it can save hours
of fruitless labor by decreasing substantially the inorthogonality between shims and the number of
false maxima on the error surface.

Having returned the "z"shim to its starting position, we repeat the experiment with the 'z2"
shim, and after 30 s or so, when the field has ceased to change, both the resulting FID and spectrum
are shown in Fig.6a for clockwise turns of our "z2* potentiometer. Compare Fw 6a with Fig.6b,

139
Chmurny and Hoult

F i r e 6. Effect, on our Instrument, of the 'z2' Shim. In (a), a clockwise rotation of the
potentiometer was used, in @), the rotation was counterclockwise. Note that the beats in the
PID are kss pronounced than in Wg. Sb and that the initial dcscent is steeper. On our
instrument, a clocLwife rotation i n t m d d -2.2 Other instruments may introduce +z?

which is for counterclockwise turns. Both spectral lines are now clearly asymmetric with a
characteristic shoulder whose handedness immediately reveals which way the potentiometer should
be turned to correct the error-information that cannot be obtained from the lo& signal. Compare
also the fall of the FID (which is always kept well off-resonance to reveal the envelope) in Fig. 6
with that in Fig.5b. The initial fall is more precipitous in Fig.6, and looking ahead, we see in Fig.
8 and Fs.9 that the higher the order of the inhomogeneity, the more rapidly the start of the FID
changes. This rapid drop is rather easy to see with an oscilloscope, whereas a digital display is less
clear. In the spectrum, the rapid, initial change is manifest more toward the spectral baseline and
is diflicult to characterize. The asymmetry in Fig. 6 is easily explained when we remember that our
sample is not a sphere but a tube along the z axis. Figure 7 shows u + z2 variation of field. Note

kI ji
IIIII 1IIIIII$
I I \\
I I
II / II
/ I I
I I
I 1
I

B Sample
. A Sample
- -
I 1
I 1
-2
B Sample Axial Positlon

F i n 7. Effea on Lineshape of a z2 Variation of Weld. The n is much sample in the vicinity


of fdd strength A, and this givcs rise to the large p k s in Wg. 6. H w v c r , at higher fields
and frequencies, such PI at B,there is but little sample in a givcn field or frequency range, and
EO the signal at that frequency is smaller. As WE m m farther from the origin, the signal is
furthcr attenuated by the f a l l 4 of the B, field, hence the "shoulders" in Wg. 6.

that the field does not go negative, and therefore there is a sharp signal cut-off to low frequency, as
is clearly seen in Fq.6b. (Our spectra are plotted conventionally with increasing frequency to the
left, and we therefore conclude that our "z2' potentiometer or shim w i r i i was reversed.) Note, too,
that the amount of sample contributing to a given frequency range becomes smaller and smaller at
higher and higher frequencies. If B, were constant, the spectral line would then fall off as (A@):' but
of course, the effective sample length is limited, so we see an end to the fall-off, resulting in a
shoulder, as shown in Fig.6. From Eq. [2], the field from a "r2*shim is actually given by

ABm a r2(3m2fl- 1) or 2r2 - r r 2 [91

and in the radial direction, the Larmor frequency does decrease. However, the sample, being in a

140
The Ancient and Honourable Art of Shimming

tube along the z axis, has little radial extent, and so we see little Signal to low frequency of the peak
of Fig. 6b.
Returning the "z2" shim to its usual setting, and maladjusting "z3",we obtain the mostly
symmetrical line of Fig.8, whose central region looks suspiciously like that caused by the "z"shim

Figure 8. Effect of the 'z3' Shim. Although the broadened base is typical of this shim and
consonant with the rapid initial dcscent of the FID, there are also hints of t I and +I? in the
line-shape. This is inaccord with a small, positive displacement, as may be Seen by expanding
(I' + I0)?
in Fig. 5b. Upon investigation, we found a good reason for the similarity The "z3"shim was
producing a substantial amount of z and z2 due to a manufacturing compromise (c.f. Eq. [A).
Finally, Fig. 9 shows the effect of the z4 shim on the FID and on the spectral line-shape. When one
remembers that there is often a strong isolated peak in a spectrum (e.g., that from tetramethylsiiane)
that can quickly be viewed, knowledge of the line-shapes caused by the various zonal shims can be
invaluable in quickly adjusting them. Most often, the homogeneity changes from sample to sample
because of a change of solvent, tube, temperature, or amount of sample. Provided the sample
extends well above and below the design volume of the system, it is pMcipally the zonal shims that
need changing with sample switches, and then normally only "z" and "z2" for it can be shown
mathematically that it is the lowest orders that are most sensitive to change. Only when there is a
major change in sample characteristics (use of a new probe or a very short sample), is it usual to
have to reshim using all available resources. Even with a small sample, this can be minimized either
by using a microsample that is spherical or by placing the sample in the midst of the tube with fiuer
above and below of similar magnetic susceptibility. (Teflon and other matched-susceptibility plugs
are available (I, 25).)

Iy d mlllal 1.

ngurc 9. Effects of the 'z4' Shim. The very rapid initial fall of the FID and the pmnouncod
asymmetry arc typical of t h s correction. Note that in contrast t o the m ~ 3 shim's
n effect in Fig.
8, the= is very little evidence of z or z f suggesting that the "z3' and '2" shim windine arc
staggered slightly; is., their origins differ. RNCrsal of current in the shim naturally rcvcrscs
the asymmetry.

141
Chmurny and Hoult

TESSERAL SHIMS AND SPINNING SIDEBANDS


So far, we have concentrated solely on the zonal shims-those producing fields with total axial
symmetry. We now turn our attention to the tesseral shims (those with x and y in their Cartesian
appelation) and would immediately draw the reader's attention to the relationship between these
shims and spinning sidebands in a spectrum. It is here that spinning the sample and observing the
FID come into their own. Consider in a spinning sample tube an elementary volume of sample dV
at point P(r, 8, 4) at some time r (Fig. 1). Let us suppose at time c = 0, an rf pulse was applied
and that our elementary sample was at 4 = do. Let the spinning angular frequency be w,. Then at
r, the element is at position 4 = w,f + t#o. Now the Larmor frequency at that instant is determined
by the main field strength at P, as given by Eq. [2]. We could progress in our mathematical analysis
by Considering the entire formula, but for illustrative purposes, let us consider the effect of one
harmonic of degree m. Equation [2] shows us that for a given value of t and 8, the Larmor
frequency varies as

A u a Cnm~Im(4 - $mm)l POI


But 4 is increasing in time because the sample is rotating, and so we have

Suppose that in the rotating frame, the B, field during the rf pulse was in the -y' direction. Then
at t = 0, the magnetization from our elementary sample was flipped toward the x' axis. At t,
however, it is no longer there; its angular position c relative to the x' axis is now
I I
c a JAwdr = CnmJcos[m(wIr+ do- +,,,,)]dt
0 0

In other words, the phase of the N M R signal from the elementary volume oscillates with time, but
at each time t = 2xq/mwr, where q is an integer, it returns to the x' axis, for at these times, phase
B is zero. This is true of every elementary volume in the sample, and while at an arbitrary time the
volumes' magnetic moments may be spread out over the rotating x'y' plane (resulting in greatly
dimhished signal strength), at t = 27rq/mu1 every magnetic moment is back in phase along the x'
axis-there is an echo. This is clearly shown in Fig. 10 and Fig. 11, in which the "x" (n = 1,

Rgum 10. Wed, with Sampk Spinning at 20 Hz, of Incorrect Current in the 'x' or "y" Shim.
The formation of echoes in the FID mry 50 ms if clearly visible, and first-spinning sidebands
20 Hz away f n w the main epcctral line also can be seen. 'Ibe ttsscral inhomogeneity
determines the d q t b of modulation of the FID (the size of the sidebands), while the zonal
hhomogcneity controls the &ape and duration of the echo train (the width, height, and shape
of the central peak).

142
The Ancient and Honourable Art of Shimming

m = 1) and "xy" (n = 2, m = 2) shims were respectively maladjusted. The modulation of the FIDs
at once and twice the spinning speed is clearly visible and is an immediate indicator of what degree
(m) of shim to adjust. There is no information in Fig. 10 as to the order (n) of the shim that needs
adjusting. It could be "x", "y", "zx", "zy", " Z ~ X " ,or "zzy". However, just a reduction of the list of
possibilities to these shims is of major assistance, and in practice we have found that it is rare to get
false optima when "shimming on the modulation."

Figure 11. Effect, with Sample Spinning at 20 Hz,of Introducing "22" Inhomogeneity (i.e., "xy"
-
or ' x Z y'"). Echoes are now formed evcry 25 ms (c.f. Fig lo), and the spinning sidebands
arc 40 Hz away from the main line. The difference in the two sidebands' heights is caused by
B, inhomogeneity, which also can produce spinning sidebands.

Another advantage of spinning the sample is that zonal and tesseral adjustments are quite clearly
separated once echoes can clearly be seen. The duration and shape of the FID echo envelope
depends solely on the zonal shim settings, whereas the modulation depends solely on the tesseral
settings and the spinning speed, as shown in Eq. [12]. From this equation, it is evident that the
lower the spinning speed w,, the greater the deviation of e, and hence the greater the modulation.
However, we also wish to be able to see the modulation pattern, and if the zonal homogeneity is
poor, resulting in a short apparent relaxation time T:, quite a high spinning speed will be needed
: = 50 ms, we might use a rate of 30 Hz). As the zonal homogeneity is improved, and
(e.g., for T
as echoes are seen for longer and longer times, the spinning speed can be reduced to improve the
sensitivity of the tesseral shim adjustments.
The relationship between the modulation of the FID and the spinning sidebands in the spectrum
is unfortunately not as simple as one might hope, for two factors complicate the relationship. For
small tesseral inhomogeneity which results in at most a 20% modulation of the FID, a spherical
harmonic of the m'" degree will produce overwhelmingly mrhspinning sidebands (i.e., spectral lines
at frequencies kmw,, relative to the center h e ) , as shown in Fig. 11. Thus, the height of the
sidebands is a good indicator of the amount of nzthdegree harmonic present. However, when the
tesseral inhomogeneity is severe, producing dips almost to the baseline between echoes in the FID,
sidebands at frequencies qrno, (q is an integer) are prominent, and reliance on these can be
misleading. (A full mathematical analysis requires the integration of eic over the sample and gives,
as is usual with frequency modulation, an infiite number of sidebands whose amplitudes are
described by Bessel functions (16, 17).) A good strategy when in doubt, and when the FID cannot
be observed, is to shim first on the lowest degree (m = 1) harmonics, aimihg to remove the first
spinning sidebands. Only then does one progress to higher degrees. A second complication is that
even in a perfectly homogeneous B, field, B, inhomogeneity can cause spinning sidebands (18). To
see why this is so, consider once again our element of sample at position P(r, 6 , 4) moving in the
inhomogeneous B, field depicted in Fig.12. At a specific radius, this field can be described by Eq.
[13]:

i1 = (fill + fi,,cos24)i - (8,,sin24)j P I


6, is the field that would be created if unit current were flowing in the probe coil, 8,, and 8,, are
constants, and i and j are unit vectors in the x and y directions, respectively. At t = 0, our element

143
Chmurny and Hoult

Fire 12 An Hement of Sample at Position P Moving Through an Inhomogeneous B, Reld.


As both the direction and the amplitude of the field experienced by the element change as the
latter moveb in a circle, the phase and amplitude of its NhfR signal change mmspondingly,
and the amsequent modulation of the FID produces sidebands in the spectrum.

of sample is at position 4 = do,where it receives an rf pulse that places magnetization in the xy


plane. We now receive signal from the processing magnetization M,and the principle of reciprocity
states that the received signal is given by

Now, in the laboratory frame, as M is swiftly precessing, its motion following a 90" pulse is given
bY
M = [Mo-(oot + B)li - [MOsin(@Ot + B)ll [W
where M, is the equilibrium magnetization, w, is the Larmor frequency, and B is an arbitrary phase
that can, if desired, be determined. (Note that we have taken cognizance of the minus sign in the
Larmor equation w, = --yB,,and we have neglected relaxation). Thus, from Eqs. [13], [14], and [15]
we have
f = u ~ M , ~ ~ +, B) ( ~Bo t- 29)
~ +( ~~ o ,M ~o f i 1 2 ~ i n + [161

But the sample is rotating, and 9 increases as w,r, so the second term in Eq. [16] is a signal at
frequency w, - 20,: a single, spinning sideband to low frequency of the main signal whose amplitude
(in contrast to ordinary B, spinning sidebands) is independent of the spinning speed. When we
remember that the B, field inhomogeneity is unlikely to be the simple expression of Eq. [13] and that
B, inhomogeneity causes the Larmor frequency w, to be a function periodic at the spinning frequency,
Eq. [16]becomes a devil's brew that can spew out asymmetric and ill-phased spinning sidebands.
Because of the interaction between B, and B, terms in the equation, it is also possible for some
cauceWon of spinning sidebands to occur, of which the operator may well take advantage.
However, the consequence is that when the sample is no longer spun, the tesseral shim settings may
be fractionally nonoptimal. The resulting difference in he-shapes from spun and unspun samples
is usually very small with a well-designed probe, and "shimming on the modulation" remains the best
way of separating zonal and tesseral inhomogeneities and of rapidly observing the effects of the
corresponding shims.

TYPICAL SHIM INTERACTIONS


Armed with the above knowledge, how should we shim? Each experienced operator has his or
her own technique, but when starting & now, we recommend, as stated earlier, the use of a long,

144
The Ancient and Honourable Art of Shimming

spinnable sample with a single, sharp, spectral line. For example, when observing protons, we would
use 99.9% deuterium oxide with a little CuSO, to reduce TIand T, to about 1 s (19). ( h e water
is not used, in order to avoid radiation damping.) Repeating low-flipangle rf pulses once a second,
we first ensure with the aid of the "z" shim, as described earlier, that the probe is accurately
centered at the origin of the shim set. We then observe on the oscilloscope the FID from the
nonspinning sample. We set it well off-resonance so that there are at least 30 oscillations across the
screen with the time base adjusted so that the amplitude of the FID drops to about one-half of its
initial value at the end of the display, as shown in Fig.l3a. The band-width of the instrument

Figure 13. Progression in the Shape of the FID When Beginning to Shim. The plots were
obtained from digitized data for the sake of convenience, and the raggedness this causes is why
the display of analogue data on an oscilloscope is preferred. In (a), the FID,which is well off-
resonance so that its envelope can clearly be seen, decays to about half its height by the end
of the oscilloscope display. Pmgressive adjustment of the shims decreases the rate of decay,
as shown in @). The time base of the oscilloscope is then slowed until an envelope decaying
to about half its initial height is again seen, and the process is repeated.

must be large enough to accommodate the high FID frequency. We then systematically adjust the
shims to increase the height of the FID at the right-hand side of the display, as in Fig. 13b. Often,
it will be a single potentiometer that has an overwhelming influence. We then adjust the
oscilloscope's time base so that we observe more of the FID, and the display looks once again like
Fig. 13a. Shimming is then repeated. The rationale for this approach is that the effects of high-
order shims are most readily observed at the beginning of the FID, as shown in Fig. 8 and Fig. 9.
Once the oscilloscope display lasts more than 100 ms, we may profitably start spinning the sample
at 30 Hz, taking care to avoid vortices. Immediately, a modulated FID, the like of Fig. 10 and Fig.
11, appears. Concentrating on the zonal shims, we monitor an echo that has a peak height of about
one-half that of the start of the FID, and we work to increase its height. Finally, we aim for the
longest echo train with the most pleasing exponential envelope.
We now turn our attention to the tesseral shims. Knowing the spinning speed (which is readily
available on most instruments), we can immediately tell from the modulation pattern which shims to
adjust. For example, if with a spinning speed of 30 Hz, echoes occur every 33 ms, we change the
first-degree shims; if every 16 ms, the second-degree shims. At this point, the length of the echo
train may start to diminish; in other words, the tesseral shims are producing zonal inhomogeneity!

A typical example is shown in Fig. 14a. As we shimmed,we knew from the small modulation
and spinning sideband size that the "31" inhomogeneity had been considerably reduced, but
examination of the spectral line-shape showed that there was dearly a z2 component to the
inhomogeneity. When we deliberately added "31"inhomogeneity, the spectrum shown in Fig. 14b was
the result. Note the difference in shape between the sidebands and the central line. These effects
are explained as follows: The "31"term in Eq. [2] is

AB, a - I)COS#
Qsine(5co~~e = x(4z2 - x 2 - y 2 ) [17l
If the spinning axis of the sample is not coincident with the origin of the "31" shim, thenx must be
replaced with a term of the form (x' + x,) (c.f. Eq. [q), in which x, is the alignment error, and the

145
Cbmurny and Hoult

F i r e 14. Effect of '31" Shim. In (a), the poor central line-shape, after the "31"shim had
been optimally adjusted to minimize PID modulation, is shown. Prior to the adjustment, the
central IillGfhPpe was good,but it now has an obvious 'z2' component. In @) the "31' shim
has been deliberately maladjusted. Note the shape of the spinning sidebands relative to that
of the main line. When 'z2' is adjusted, the line-shape of (a) improves, as shown in (c).

term 4x0z2promptly appears in the equation. Thus, as we discovered, the "31" shim introduces z2
inhomogeneity. Fqyre 14c shows the spectral line-shape of Fig. 14a with the z2 term removed. The
odd shape of the sidebands in Fig.14b is easily explained when it is remembered that the largest
signal in the sidebands is obtained from regions (away from the origin) of large z where AB, in Eq.
[17] is largest, while the largest signal in the central line is obtained from regions close to the origin
that experience negligible gradient from the spurious term, 4x,,zt When one remembers too that the
radius of the shim coils may be several centimeters, even though the sample radius may be only
2 mm, any misalignment of the probe can be understood.

Another typical interaction is shown in Fig. 15, which displays the effects of the "22"shim. The
most worrisome facet of the f w e is that first spinning sidebands are b e i i produced by a second-
degree shim. To see how this is possible, we examine once again the "22" harmonic,

AB, a r2sh28cos24 = x2 - y 2 WI
The small offset in the x direction, that explained the errors in the 31"shim, also explains the
spinning sidebands, for, substituting (x' + x,) for x, we have

AB, a x" - y 2 + 2x,x' + x i


and the term 2x,x' produces first spinning sidebands. Thus, when we shimmed with this correction,
we monitored the change in the second spinning sidebands in the spectrum and the modulation at
frequency 2w, in the FID. Now Eq. [lo] contains no zonal term that could accoullf for the very
obvious z component of the central line. However, the addition theorem (3) of spherical harmonics

146
The Ancient and Honourable Art of Shimming

Figure 15. The Havoc Wrought by the "22"Shim ("xy" or 9


' -y'"). The effects can be
caused by a slight tilt in the shim coil relative to the spinning axis.

shows that, as the sample is long and narrow, it would need only a very slight tilt in the sample
axis relative to that of the shim axis to produce considerable z, zx, zy, and z? Of course, the
degradation of the central line-shape and the concomitant alternation of the FID echo train caused
by the presumed tilt are easily remedied with the aid of the zonal shims, and once the tesseral
modulation of the FID is not excessive, we can, as already remarked, reliably shim on the second
spinning sideband to eliminate the "22"inhomogeneity.

The problems just described are a direct consequence of the large difference in size between the
sample tube and the shim coils, and nowhere is this more apparent than when adjusting the "33"
shims ('x3" and "y3")with a 5-mm tube. There was no hint that adjustments changed the third
spinning sidebands; on the contrary, first sidebands were overwhelmingly produced - evidence of the
spurious production of "x" and "y". We therefore set the "33"shims to zero and ignored them. To
set all of the shims optimally with respect to the basic field from the magnet (as opposed to
perturbations imposed by a particular probe), a large sample is needed-a sphere (in a
homogeneous B, field) whose radius is about one-half that of the shim coils. With such a sample,
interactions would be far less noticeable, and higher orders such as 'x3" could then be set and left
whenever one switched to a probe for smaller sample tubes.

Finally, having obtained a well-shaped FID with negligible spinniig sidebands, we reduce the
spinning speed to the minimum stable value and repeat the procedure. It can be shown (16, 17) that
the height of an m'h spinning sideband is proportional to (u,);'"and so a large reduction in spinning
speed can greatly increase the sensitivity of higher-order tesseral shims such as "22".At this juncture,
the field-frequency lock may be turned on, and its signal may be used for any final adjustments,
particularly if the sample is not to be spun. However, it must be remembered that deuterium, with
its relatively large natural line-width and low gyromagnetic ratio, is not a particularly good indicator
of homogeneity. In addition, care must be taken to phase the deuterium signal accurately and to
avoid saturation. The hope is that the shim settings are close enough to optimal that no false
maxima in the error surface will be encountered (Fig. 4). If the unspun sample's spectral line-width
is unacceptable, then at least one knows that the fault lies with the tesseral harmonics, although
changing them is now fraught with danger due to their various interactions. In the precedin
experiments, it is often worth calibrating the interactions, for example, determining how much "z8
must be added when a certain change in "z'x" is made. The really ambitious may wish to write a
computer routine to reorthogonalize the shim set (11). In other words, one may use the computer
and digital-to-analogue converters to control the shims, and the computer can then automatically
change "z'" appropriately when "z'x" is altered.

Occasionally interactions may be so strong that it is almost impossible to shim well. For
example, the "z'" shim may well produce large amounts of z and 23 Under such circumstances,
knowledge of the interactions is crucial. This may be obtained with a crude, proton, axial-field plot
performed with a drop of doped water in the bottom of a 5-mm tube. With the 'z5' shim passing
zero current, the proton frequency is repeatedly obtained as the tube is lowered, say, 2 mm at a

147
Chmumy and Hoult

time, into the robe. The measurements are then repeated with a large, known current passing
9
through the "z " shim, and the difference in the two sets of measurements, plotted against distance,
provides a profile of the "2'" shim. Simple curve fitting will then reveal how much of other zonal
harmonics are present and what the relationship is between the proton frequency and the shim-coil
current. If necessary, all the zonal shims can be characterized in this manner, and a table can then
be calculated of how much each potentiometer should be moved to create a pure 2' adjustment.
Obviously, it is most convenient if the computer holds the table and performs the corrections.
Reorthogonalization of aberrant shims is a potent technique for making the spectroscopist's life more
comfortable, and it is regrettable that, to the authors' knowledge, it is not b e i i applied by
manufacturers.

CONCLUSION

Our hope is that when readers repeat the simple experiments described in the text, they will have
a better sense of the manner in which shim sets behave and of the interactions that are characteristic
of the particular instrument used. We have concentrated on an understanding of the actual art of
shimmii in the belief that this is of the greatest general benefit, but we are well aware that a
multitude of other (normally time- and temperature-dependent) factors can influence the results.
These can range from truck traffic temporarily changing homogeneity to contraction and movement
foUowing a nitrogen fa and from the inadequate mixing of solvents of different magnetic
susceptibfity to shims and their power supplies warming and changing current during the day.
However, the insistence that shimming is not a mysterious ritual but, rather, a complex interactive
process is the final message we wish to convey, and we hope that the previous pages have helped to
show that this is indeed the case.

ACKNOWLEDGMENT

This project has been funded in part with federal funds from the Department of Health and
Human Services under contract NO1-CO-74102. The content of this paper does not necessarily reflect
the views or policies of the Department of Health and Human Services, nor does mention of trade
names, commercial products, or organizations imply endorsement by the U.S. Government.

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148
The Ancient and Honourable Art of Shimming

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149

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