Hello, I am currently working on a problem by SIRAS. I have a native and an isomorphous SeMet dataset. I have been trying to use SOLVE/RESOLVE by modifying the MIR file. The problem I am having is with the input file. Can two separate files be used as input, one native.mtz(scaled amplitudes) and another one, semet.mtz (scaled amplitudes). If I can do so, what column information needs to be modified in each. Also, can the native and semet files be merged into one and scaled (CAD and SCALEIT) before and provided as an input to SOLVE.
When I am trying to use a CAD/SCALEIT file with data from native and semet, I get an error saying " Error in label assignments". As per the SOLVE manual, I have changed the F-->FP, SIGF-->SIGFP, Fsemet-->FPH1, SIGFsemet-->SIGFPH1, DANOsemet-->DPH1, SIGDANO --> SIGDPH1..Do I need to have any other columns in my .mtz file. If anyone has any inputs on this please do help. Thanks in advance. Regards, Ankit
