Cope with user passing chemical compound (involved writing parser, messy)  - 
Cope with user passing chemical compound (involved writing parser, messy)  - 

xia2.to_shelx AUTOMATIC_DEFAULT_scaled_unmerged.mtz solve C26H24P2N2O4Ni

 - seems to work right though (shelx happy)
xia2/xia2,xia2/xia2