Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
sequential_refinements_-_save_phase_pattern [2020/04/20 14:00]
iangie
sequential_refinements_-_save_phase_pattern [2020/04/20 14:05]
iangie
Line 2: Line 2:
 Intensity contribution from individual phase can be saved out from GUI interface "​right-click -> save if displayed..."​. Intensity contribution from individual phase can be saved out from GUI interface "​right-click -> save if displayed..."​.
  
-However, there were multiple questions asked in the forum concerning how to extract phase contribution through Launch Mode .inp file setup, and even do this for in-situ data set.+However, there were multiple questions asked in the forum concerning how to extract phase contribution through Launch Mode .inp file setup, and hoe to do this even for a batch dataset.
  
-The solution below has been enlightened by the Alan Coelho'​s 2-step refinement & Matthew Rowles'​s Sequential Refinement method.+The solution below has been enlightened by the Alan Coelho'​s 2-step refinement ​solution ​& Matthew Rowles'​s Sequential Refinement method.
  
 TOPAS V6 allows a keyword //​num_runs//​ which instructs the programme to run an .inp file multiple times, which means above 2-step solution can be devised in one .inp file with "​num_runs 2" and several #if switches: TOPAS V6 allows a keyword //​num_runs//​ which instructs the programme to run an .inp file multiple times, which means above 2-step solution can be devised in one .inp file with "​num_runs 2" and several #if switches:
Line 46: Line 46:
       {       {
        "​ %11.6f ​ " = X + 2 samp_disp Cos(X Deg_on_2)/​Rp Rad;                     /* Correct sample displacement from an internal standard, hkl_Al in this case */               "​ %11.6f ​ " = X + 2 samp_disp Cos(X Deg_on_2)/​Rp Rad;                     /* Correct sample displacement from an internal standard, hkl_Al in this case */       
-       "​ %11.6f\n ​ " = Ycalc;+       "​ %11.6f\n ​ " = Ycalc; ​                                                   /* You can add Ln() in the equation , if you want to plot as the intensity of the 2D plot in logarithm scale. */
        }        }
 #endif #endif
Line 138: Line 138:
       {       {
        "​ %11.6f ​ " = X + 2 samp_disp Cos(X Deg_on_2)/​Rp Rad;   /* Correct sample displacement of the phase, because the in-situ cell pops up */               "​ %11.6f ​ " = X + 2 samp_disp Cos(X Deg_on_2)/​Rp Rad;   /* Correct sample displacement of the phase, because the in-situ cell pops up */       
-       "​ %11.6f\n ​ " = Ycalc;+       "​ %11.6f\n ​ " = Ycalc; ​                                 /* You can add Ln() in the equation , if you want to plot as the intensity of the 2D plot in logarithm scale. */
        }        }
 #endif #endif

Personal Tools