Hi experts,
I hope this finds you well. I would like to know how to use LCModel’s makebasis function correctly. When I type the command that is from user manual, an error occurs. The RAW files were made by using FID-A run_simExampleBasisSet function. Has anyone met this error before?
Best regards,
Jackie
Hi,
Right now the error has been MAKEBA 12. I dont know how to change the ppmapp to an appropriate field.
Best wishes,
Jackie
I believe that makebasis wants the 0-ppm reference peak. You could try setting ref='y' in run_simExampleBasisSet.m. Note that this function simulates a very generic PRESS sequence that is not going to be representative of the actual sequence. Tagging @JamieNear for help too.
Thanks for your reply and your time a lot. I tried setting ref=‘y’ but when I run makebasis , the error MAKEBA 12 still occured. So I would like to know if I am supposed to change ppmapp and how to consider the value.
You need to change ppmapp to contain the reference peak, say, 0.1, -0.4 (see section 8.6.4.3 of the manual).
