Spectrometer Setup

start UXNMR:
uxnmr, or xwinnmr
uxnmr -r removing shared memories and other jobs
shmrm removing shared memories

te temperature
edte temp control unit

lock power H2O: -17 to -20, D2O: -20 to -30
shim use "gradshim" (for shigemi: 10, 12, 14 points)
autoshim during acquisition:
active shims use bsmsdisp (in XWINnmr), go to autoshim
interval sampling interval (sec) > d0 (BSMS, 2nd left, bottom row)
Further info: Bruker Acquisition Manual

ased set parameters
eda gradients/progs, decoupling, sel. pulses, etc
edasp amplifiers, connections, frequencies (compilation errors)
edcpd composite pulse decoupling
edgp gradient pulse programs
expt calculate time of experiment
asl absolute lock shift (12125263 @ 600 MHz)
setres user interface settings

bsmsdisp BSMS interactive display
pulsdisp display pulse sequence (set ds to 0, ns to 1)
acbdisp display power output
xshape generate shaped pulses

qsin sin bell apodization (ssb: phase shift)
qfp (1,d) qsin, ft, pk (rser1, dual)
wrp n write processed data (2D)
tr write current memory byffer to disc

PP /u/exp/stan/nmr/lists/pp
GP /u/exp/stan/nmr/lists/gp
shims /u/exp/stan/nmr/lists/bsms
AU /u/exp/stan/nmr/au (/src)
mac /u/exp/stan/nmr/lists/mac

Power: P'/P dB = 20*log(P'/P)
****** P'/P = 10^(dB/20)
1 dB 1.122 89%
2 dB 1.259 79%
3 dB 1.412 71%
4 dB 1.585 63%
5 dB 1.778 56%
6 dB 1.995 50%
10 dB 3.162 32%
12 dB 3.981 25%
14 dB 5.012 20%
20 dB 10 10%
40 dB 100 1%

Selective Pulses:
p90, null for C' = sqrt(15)/(4*Omega)] = 0.968/Omega
1/2 p180, null for C' = sqrt(3)/(4*Omega)] = 0.433/Omega

boot: as SUPER-USER
init 0 bring computer down
init 1..5 bring computer down and up to different lewels
init 6 bring computer down and completely up

CPR problems:
reviveccu if no licence available (CPR) (as SUPER-USER)
telnet spect (user root)
init 6

BSMS problems:
reset first cage, bottom part, left top
off/on first cage, bottom part, bottom right
if red light on "TRANS P-DOWN" (top right on BSMS board):
acbdisp -> Controls, -> ACB Reset (=> red light off)

Important Numbers:
ASL 12125263
lock freq 3980
O1 10778

Change SCSI:
init 0
turn computer off (round button)
reconnect disks/tape drives (make shure, address is correct)
restart computer (round button)

if new (eg. disk drive)
hinv (check address)
disk manager -> open new SCSI -> initialize -> ok
mkdir /disk4
disk manager -> open new SCSI -> mount

Load new software:
make backups!
load disk (/CDROM) [/u ~ 140 MByte]
click on "startme"
cp -rp /u/exp/sstan/nmr/lists: bsms, cpd, eurotherm, f1, gp, mac,
pp, preemp, v*, wave
/u/conf/instr: boss, curinst, probehead, spect
uxnmr: "cf"
"setpre" (read, ...)

Set Date and Time (as super user):
date 1630

phtran (on AMX) qfp1, store, phtran (-> set values)



Pulse programming

pulsedisp display of pulse prog
ed(c)pul edit pulse prog
eda / pulprog set pulse prog
edasp define channels
edcpd edit composite pulse decoupling (cpd) sequence
with order duration[*multiplier:shape]:phase
edlist edit a list (for variable pulses, frequencies, delays)
shape/xshape create shaped pulses


Pulses (length, frequency, phase, power):
p0-p31 pulse length
10mp fixed pulse with 10 ms length (up, mp, sp)
vp variable list pulse (-> edlist)

f1-f8 channel 1-8 with frequency SFO1-8, f1 = default (-> edasp)
fq1-fq8 change frequency according to FQ1(-8)LIST (-> edlist, eda)

ph0-ph31 phase, example: ph1 = (5) {1 2}*2^1 [= (5) 1 2 1 2 2 3]
ph3^ = ipp3 increment phase pointer (here of phase 3) |
ph4:r all phases incremented by PHCOR4 (-> eda) |
ip5 increment phase 5 by 1 (usually 90 deg) | need delay!
dp5*2 decrement phase 5 by 2 (usually 180 deg) |
rp5 reset phases 5 to original values |

pl0-pl31:f1 set power level 0-31 for channel 1 (needs delay > 2us)
defaults of f1-f8 according to PL1-PL8
sp0-sp15 shaped pulses (-> eda, click on SP07, -> shape/xshape
stored in /u/exp/stan/nmr/lists/wave/)

(p1*2 ph1):f1 180-pulse, phase, channel 1 (optional if f1)
d11 pl6:f1 delay 11, set power level 6 for channel 1
d14 fq2:f3 delay 14, change frequency of channel 3 according to FQ2LIST
(p1:sp2 ph7):f1 generation of a shaped pulse

d0-d31 delay according to acquisiton parameter D0-D31 (-> eda)
id0 increment delay 0 according to IN0 |
dd3 decrement delay 3 according to IN3 | need delay!
rd5 reset delay 5 to D5 |
1u, m, s delay of fixed length: 1 us, ms, s
vd, ivd variable delay looked up/increased (needs delay) in table (-> edlist)

d1 ivd delay D1, variable delay increased
d2*2 delay D2 times 2
"d13=d13 + (p1*3 - 2m)*td" recalculation of a delay

cw continuous wave decoupling
hd homodecoupling
cpds1-cpds8 composite pulse dec. with seq. 1-8, synchronous mode (-> edcpd)
cpd1-cpd8 composite pulse dec. with seq. 1-8, asynchronous mode
cpd sequence according to CPDPRG1-8, e.g. WALTZ16, GARP, etc
do:f1 decoupling off

d1 (cw ph1):f1 turn on cw-decoupler (with phase 1) on channel f1 when d1 starts
0.1u cpds1:f1 turn decoupler on (sequence1, channel1)
0.1u do:f1 turn decoupler off (channel 1)

Conditional pulse programming:
#define FLAG |
#ifdef FLAG, #ifndef FLAG | conditions evaluated
#endif | at compile time
#define macro1 (p1 d1) (p2):f2 |

if expression goto label | conditions evaluated
if (trigger) goto label | at run time

Start data acquisition:
go=label acquisiton scan, go to label
gosc acquisiton scan
gonp=label acquisiton scan, go to label | no automatic
goscnp acquisiton scan | phase incrementation


ze reset scan counter to 0, enable dummy scans
zd same as ze, but no dummy scans

go=2 ph31 acquisiton of one scan, loop to 2 until NS scans (preceded by DS)
receiver phase is changed according to phase table 31

Writing to disc:
wr #0 write fid
if #0 advance the disk file pointer by TD*NBL

d11 wr #0 if #0 id0 zd during delay 11 write to current data set, advance
file pointer, increment d0 by IN0, no dummy scans

gron0-31 rectangular gradient field on using strength GPX0, GPY0, GPZ0
groff gradient off
p1:gp0-31 gradient pulse 0-31 with duration of p1 (-> eda, GP031-button)
shape: -> shape/xshape

; comment
lo to x times y loop to label x for y times (y = number, td, td1, l1, c)
l0-l31 loop counter (L0-L31 in -> eda)
iu0, du0, ru0 increment, decrement l0 by 1, reset l0 to L0
goto label go to label

#include <file.incl>

define pulse/delay VariableName
(p1 ph1):f1 (d1) (p2 ph2):f2 simultanous pulses and delays