How to output errors of atomic parameters?

snishimura

Dear TOPAS experts,

I want to output the structural parameters and their errors within more simple format.
So I wrote following script in my imp file:

	atom_out file append
		load out_record out_fmt out_eqn {
			" %f" = Get_From_String(Get(current_atom), beq);
			" %f" = Error(Get_From_String(Get(current_atom), beq));
		}
	out file append

However, the line

 Error(Get_From_String(Get(current_atom), beq))

does not return the error value.
Just returned the same value with

Get_From_String(Get(current_atom), beq)

.
Could you show me how to output the error of atomic parameters?

rowlesmr

Have a look at the

out_fmt_err

keyword.

I've used it before as:

		load out_record out_fmt out_fmt_err out_eqn 
		{	
			 "%s " "" = Get(phase_name);
			 "\t%10.15f" "\t%10.15f" = Get(a);
			 "\t%10.15f" "\t%10.15f" = Get(b);
			 "\t%10.15f" "\t%10.15f" = Get(c);
			 "\t%10.15f" "\t%10.15f" = Get(al);
			 "\t%10.15f" "\t%10.15f" = Get(be);
			 '..... and so on
		}

snishimura

Dear rowlesmr,
Thank you for your reply.

I tried the "out_fmt_error" keyword as:

	load out_record out_fmt out_eqn {
		"\t%V"= Get_From_String(Get(current_atom), beq);
	}
	load out_record out_fmt out_fmt_err out_eqn {
		"\t%f" "\t%f" = Get_From_String(Get(current_atom), beq);
		'"\t%f" = Error(Get_From_String(Get(current_atom), beq));
	}

The output text was:

0.51(3)   0.508532   0.000000

Although the "%V" format include the correct error value, the "out_fmt_error" did not work.
I still need some advises.

fredmarlton

Hi all,

Was there a solution to the above post? I have the same problem and I have do_errors included in my input file.

Thanks,
Fred

alancoelho

The following works:

atom_out SOME_FILE.TXT append
      load out_record out_fmt out_eqn
      {
         " %V\n" = Get_From_String(Get(current_atom), beq);
      }

However, the following seems to have a problem:

	atom_out SOME_FILE
		load out_record out_fmt out_fmt_err out_eqn 
		{			  
			"\t%12.5f " "\t%12.5f\n" = Get_From_String(Get(current_atom), beq); 
    	}

I am looking into this and will get back asap.

cheers
alan

fredmarlton

Thanks Alan!