Training Program on Single Crystal XRD SC XRD Data Analysis
Three-Week Online Hands-on Training on
Single Crystal XRD
DATa Analysis
11 – 28 Nov 2024 ; 7.00 pm IST
Date
11 - 28 Nov 2024
Time
07.00 pm IST
About the Workshop
The Single Crystal Data Analysis Workshop is designed to provide beginners with a comprehensive understanding of the principles and practical techniques for analyzing single crystal data obtained from X-ray diffraction experiments. Through a series of online hands-on sessions, participants will learn how to process and analyze single crystal diffraction data, solve crystal structures, and interpret crystallographic results using state-of-the-art software tools.
Single-crystal X-ray Diffraction (SCXRD) is a non-destructive analytical technique which provides detailed information about the internal lattice of crystalline substances, including unit cell dimensions, bond-lengths, bond-angles, and details of site-ordering. The process is complemented by single-crystal refinement, where the data generated from the X-ray analysis is interpreted and refined to obtain the crystal structure.
Target Audience
Students, Researchers and faculty members of chemistry, physics and material science
Key Topics:
- Data Reduction or Integration
- Data Finalization
- Structure Solution
- CIF & Data Validation
- Molecular Drawing
- Quantum Crystallography
- Publishing Crystal Data
Features
- Assignemnt Oriented Training
- Recordings will be available for future reference
- e-Certificate will be provided
Recording for Future Referenece
All live sessions will be recorded and made available to participants for future reference and continued learning.
Course Completion Certificate
At the end of the workshop, participants will receive an e-certificate of completion.
Course Plan
Schedule
Three-Weeek Online Hands-on Training on Single Crystal XRD Data Analysis
Day & Time
Session
Topics
Link
- Day 1, 07.00 pm
- Introduction to Single Crystal Diffraction
- Basics of the X-ray Diffraction
- Day 2, 07.00 pm
- Installation of Software
- Apex5 & CrysAlisPro
- Olex2
- ShelXLE
- WinGX
- ORTEP
- Mercury
- Diamond
- Day 3, 07.00 pm
- Data Reduction or Integration
- Apex5 | CrysAlisPro
- Day 4, 07.00 pm
- Data Finalization
- Data Finalization
- Day 5, 07.00 pm
- Structure Solution
- Structure Solution using Olex2
- Structure Solution using ShelXLE
- Day 6, 07.00 pm
- Structure Solution
- Structure Solution using WinGX
- Day 7, 07.00 pm
- CIF & Data Validation
- CIF & Data Validation
- Day 8, 07.00 pm
- Handling Disordered structure
- Handling Disordered structure
- Day 9, 07.00 pm
- Handling Twinning structure
- Handling Twinning structure
- Day 10, 07.00 pm
- Molecular Drawing
- Molecular Drawing using ORTEP
- Day 11, 07.00 pm
- Molecular Drawing
- Molecular Drawing using Mercury
- Molecular Drawing using Diamond
- Day 12, 07.00 pm
- Quantum Crystallography
- DFT calculation using ORCA
- Day 13, 07.00 pm
- Publishing crystal data
- Writing and publishing crystal data
- Day 14, 07.00 pm
- Assignment Discussion
- Doubt-Clearing Session
Resource Person
Assistant Professor, Department of Chemistry, F G M Government College, Adampur, Haryana
Assistant Professor, Department of Chemistry, LS College, B.R.A.Bihar University, Muzaffarpur
Registration
Registration Fee
For Indian Participants: Rs. 3500
Foriegn Participants: USD. 60
SIAS Research Forum Members
Student Member: Rs. 3150
Faculty Member: Rs. 2800
Feedback from the participants
We will update this part after the compltion of the workshop!