In many papers, they have given the atomic position, lattice parameters, bond length, bond angle etc. values with (). what is the value of inside the bracket? If it is error bar how to find in GSAS II software? I have given the reference. If anyone have idea about that please share with me..
Thank You.
That is the standard uncertainty and can be read as (using the value of x as an example) x: 0.3352 ± 0.0002. Look in the .lst file and you should find them under "Atoms", given as sigmas ("sig") below the corresponding value. For the unit cell parameters, these values are given by the estimated standard deviations (esds), also positioned below the corresponding values.
...I checked a 5 year old GSAS-II file, so YMMV.
Dear Kiruthiga Devi B.
To generate the associated errors or standard uncertainties of the refined parameters in GSASII, the program usually does this automatically. The only requirement is to check the parameter to be refined or of interest. Next, refine the parameter with the program and exported the full CIF file.
These CIF file can be read with any text editor and you can see the parameters with their standard uncertainty. This file can also be read with a graphical viewer such as Mercury, Diamond and Vesta. Also, you can generate the tables for the publication with the platon program. As Michael Sannemo mentioned it is also in the .lst file.
Best regards!
Analio Dugarte
- Badges
- Science topic
- Similar topics
- Heat