procedure: use the following 2scripts (place them conviniently in ~/bin)
0) integrate the spectrum of your choice (say experiment 1)
1)in an unix window get into the experiment's directory
(/u/data/user/nmr/expName/)
1.1) ..../cpTit 1/pdata/1/intrng 15 14 7 20 ....
(1st argument can be any other experiment number as well and the
experiments to which the copying is done can be in any order, but
do not include the experiment from which your are copying,
for e.g. the list above may not include 1.
2) in xwinnmr issue li command for each spectrum in the list above.
3) go back to the unix window and:
..../intgrlTbl exp15 exp1 exp20 ....
(only rule is that this list should contain only those in the list
for cpTit and may include the experiment# from which intrng wa
example:
========
(rr magnetization exchange data)
the 1/pdata/1/intrng file:
------------------------------------------------------------
A 1.0 #regions in PPM
# low field high field bias slope
193.802656787634 172.2711355865 0 0 # for region 1
63.6691646158695 61.0249427139759 0 0 # for region 2
60.8360697209835 47.6149602115154 0 0 # for region 3
-57.7761698782444 -66.4643275558949 0 0 # for region 4
-66.4643275558949 -85.9182458341122 0 0 # for region 5
-94.4175305187703 -99.5171013295651 0 0 # for region 6
------------------------------------------------------------
1.1) ~/cpTit 1/pdata/1/intrng 2 3 4 ....... 27
3) ~/intgrlTbl 1 2 3 4 ..... 27
-0.4195 -0.2976 -7.7054 0.9075 9.9884 1.0000
-0.2845 -0.2737 -7.5785 0.8351 9.6610 1.0454
-0.1662 -0.1881 -5.5889 0.6640 6.7643 0.7419
-0.3882 -0.2130 -7.4846 0.8933 9.1472 1.0226
-0.0487 -0.2902 -6.3315 0.8364 8.0621 1.0140
-0.1770 -0.2514 -6.1473 0.8556 7.7712 1.0103
-0.2230 -0.2945 -5.7044 0.8257 7.7245 1.0431
-0.3963 -0.2947 -5.4693 0.7526 7.3963 1.0219
-0.2851 -0.2496 -5.1603 0.9106 6.9862 0.9975
-0.1152 -0.2336 -4.8201 0.8998 6.3785 0.9956
-0.0663 -0.2432 -3.6982 0.8473 5.5765 0.9908
-0.1109 -0.2045 -2.9829 0.8123 4.7400 0.9910
-0.1185 -0.2502 -2.1547 0.8561 4.1291 1.0336
-0.1498 -0.1990 -1.5407 0.8255 3.3449 1.0239
-0.1776 -0.2155 -0.8869 0.9767 2.8214 1.0109
-0.2267 -0.1941 -0.6089 0.9729 2.4324 1.0379
-0.1465 -0.2172 -0.4315 1.0049 2.3144 1.0243
-0.0394 -0.2270 -0.4675 0.8729 2.3653 1.0502
-0.0684 -0.2331 -0.4502 1.0042 2.3391 1.0184
-0.0550 -0.2012 -0.6381 0.9468 2.5139 1.0310
-0.0722 -0.2129 -0.9609 0.9823 2.7723 1.0340
-0.0412 -0.2286 -1.3507 1.0022 3.0793 0.9726
-0.0087 -0.2142 -1.9120 0.9907 3.5726 1.0115
-0.0480 -0.2894 -2.4754 1.0602 4.0461 1.0198
-0.2430 -0.3324 -2.3087 1.0942 4.1294 1.0119
-0.1106 -0.3054 -1.0731 1.0435 2.7855 1.0117
-0.1529 -0.3002 -1.6063 1.0267 3.4507 1.0167
which can be prettied to look like:
tau peak1 peak2 peak3 peak4 peak5 peak6
==== ======= ====== ====== ====== ====== ======
1 2.5e-05 s -0.4195 -0.2976 -7.7054 0.9075 9.9884 1.0000
2 5e-05 s -0.2845 -0.2737 -7.5785 0.8351 9.6610 1.0454
you get the picture.
============================ scripts======================
#
# cpTit
# -shekar,1998may24,yale.
# usage: cpTit expNo/pdata/1/fileName expNo10 expNo1 .....
set title = $1
echo $title
shift
echo $#argv files
set i = 1
while ( $i <= $#argv )
echo $argv[$i] "\c"
cp $title $argv[$i]/pdata/1
@ i= ( $i + 1 )
end
echo ""
-----------------------------------------------------------
#
# intgrlTbl
# - shekar,1998may26,yale
set i = 1
while ( $i <= $#argv )
tail +6 $argv[$i]/pdata/1/int1d | awk '{printf("%8.4f",$4)}'
echo ""
@ i= ( $i + 1 )
end