March 2017 - Ifeffit - millenia.cars.aps.anl.gov

Data export and coordination number
by Abhinav Prabhakar 13 Mar '17

13 Mar '17

Hello, As a new user, I have some questions related to the use of Athena and Artemis: i) Is it possible to extract the normalized/background corrected data from Athena (in E-,k- and R- space) and export it as numbers (to Excel perhaps)? ii) Using Artemis, how can coordination numbers (N) be expressed as 'guess' parameters (Artemis allows only numerical values for N)? Thank you. Regards, Abhinav Prabhakar (Mr.)

2 1

Space group type in Artemis
by Abhinav Prabhakar 13 Mar '17

13 Mar '17

Hello, I have a question about the working of Artemis as a new user. Artemis does not recognize the space group B11b. When importing a cif file of a crystal with this symmetry, it sends a prompt message that the space group symbol cannot be recognized. As a result, I changed it to P11b and it works. But would this change any crystal information (for eg. Degen, Reff values) significantly? Thank you. Regards, Abhinav Prabhakar (Mr)

3 2

APS/IIT Summer XAFS School
by Carlo Segre 06 Mar '17

06 Mar '17

Greetings: The 2017 APS/IIT SUmmer XAFS School will be held on July 9-13, 2017 in Chicago. This XAFS summer school is a continuation of the week-long summer school offered previously at the Advanced Photon Source; the venue will again be at IIT in Chicago, but will run Sunday-Thursday. Course material will cover fundamental and practical aspects of X-ray Absorption Fine Structure Spectroscopy: basics, sample preparation, experiment, theory, data analysis. One day of hands-on … [View More]

1 0

Relatively reduced ionization edge as opposed to oxidized !
by Ganesh Subramanian 01 Mar '17

01 Mar '17

Dear all, I have been running the FEFF to simulate for XANES spectra for the cobalamins (Vitamin B12 cofactors). The issue of interest is between three compounds - Methylcobalamin (Me-Cbl), Cyanocobalamin (CN-Cbl) and Hydroxocobalamin (OH-Cbl). Experimentally, Me-Cbl is supposed to the most reduced (in terms of the energy of onset of the rising absorption edge). OH-Cbl and CN-Cbl are supposed to be oxidized wrt Me-Cbl. (The official oxidation state of Cobalt for all the above three systems is +… [View More]

1 0

downloading Demeter
by Bruce Ravel 01 Mar '17

01 Mar '17

To those who have noticed that Demeter has not been available for download in the last day or so: I use Amazon's S3 service to distribute the large installer files. You may have seen the news in the last 12 hours about a massive outage of that service, or you may have noticed that other internet resources that you use are unresponsive. There is nothing I can do to resolve this problem. Eventually Amazon S3 will come back on line and you will again be able to download Demeter. Please … [View More]

1 0

Limitations of maximum number of points in a data file in Athena
by Harishchandra Singh 01 Mar '17

01 Mar '17

Hi All, I have a query regarding limitation of maximum number of data points (or maximum size) of data file in to be imported in Athena. It would be great to hear form you all. Harish

3 2