Update 04_nmr_shiedling_efg.md

extra soprano tip

docs/workshop/04_nmr_shiedling_efg.md

@@ -136,6 +136,16 @@ A suitable &#963;<sub>ref</sub> for 1H is 30.97ppm.
 * Fig. 2 shows a modern high-resolution 1H spectrum for liquid ethanol. Note that the peaks are split due to J-coupling - the interaction of the 1H magnetic moments - but let's ignore that for now. The three peaks are roughly at 1.2ppm, 3.7ppm and 5ppm. You should find that your computed values agree for two sites. Do you know why the other site has such a large disagreement with experiment?
 
 
+You can also use the soprano command-line tool to process NMR data from CASTEP. On the VM, go to Applications -> Software -> Soprano to launch a terminal with the correct python environmen loaded. You can then navigate to where your .magres file is and do something like:
+
+```
+soprano nmr ethanol.magres --references H:30.97 --include MS_shift -g CH3,CH2
+```
+
+For all the options, do `soprano nmr --help` or look at the [CLI Cookbook](https://jkshenton.github.io/soprano/cli-cookbook.html). This is particularly useful when dealing with large amounts of NMR data. 
+
+
+
 ###Example 2 - Diamond
 
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