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Key Areas of Performance Analysis in Crystallography

  1. Data Quality
    • Resolution: Assessing the resolution of the diffraction data, which impacts the detail and accuracy of the determined crystal structure.
    • Completeness: Evaluating the completeness of the data set to ensure that sufficient information has been collected for accurate structure determination.
    • Signal-to-Noise Ratio: Analyzing the ratio of the diffraction signal to background noise to ensure high-quality data.
    • R-Factor: Measuring the agreement between the observed and calculated structure factors to assess the accuracy of the model.
  2. Experimental Techniques
    • X-ray Diffraction (XRD): Evaluating the performance of XRD experiments, including the alignment of the X-ray source, the quality of the detector, and the effectiveness of the data collection process.
    • Cryo-Electron Microscopy (Cryo-EM): Assessing the quality of Cryo-EM data, including particle alignment, reconstruction accuracy, and resolution.
  3. Structure Determination
    • Phasing Techniques: Analyzing the effectiveness of phasing methods such as molecular replacement, experimental phasing, and direct methods in solving the phase problem.
    • Model Building: Evaluating the accuracy and completeness of the atomic model built from the diffraction data.
    • Refinement: Assessing the performance of structure refinement procedures, including adjustments to improve the fit between the model and the experimental data.
  4. Software and Tools
    • Data Processing Software: Evaluating the performance of software used for data processing, such as indexing, integration, and scaling.
    • Model Building Software: Analyzing the effectiveness of software tools used for model building and validation.
    • Refinement Programs: Assessing the performance of refinement programs in optimizing the crystal structure.
  5. Experimental Design
    • Sample Preparation: Evaluating the quality of crystal samples, including their size, quality, and stability.
    • Experimental Conditions: Assessing the impact of experimental conditions such as temperature, solvent, and crystal mounting on data quality and structure determination.
  6. Validation and Verification
    • Structural Validation: Using validation tools to check the correctness and quality of the determined crystal structure.
    • Model Validation: Evaluating the reliability of the atomic model through techniques such as Ramachandran plots, residue geometry, and electron density maps.

S.no

Journal title

ISSN

Subject Name

1.      

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

0254-5861

Crystallography

2.      

POLYHEDRON

0277-5387

Crystallography

3.      

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES

2053-2733

Crystallography

4.      

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS

2052-5206

Crystallography

5.      

ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY

2053-2296

Crystallography

6.      

CRYSTENGCOMM

1466-8033

Crystallography

7.      

JOURNAL OF APPLIED CRYSTALLOGRAPHY

1600-5767

Crystallography

8.      

LIQUID CRYSTALS

0267-8292

Crystallography

9.      

CRYSTAL GROWTH & DESIGN

1528-7483

Crystallography

10.   

IUCRJ

2052-2525

Crystallography

11.   

MOLECULAR CRYSTALS AND LIQUID CRYSTALS

1542-1406

Crystallography

12.   

STRUCTURAL CHEMISTRY

1040-0400

Crystallography

13.   

LIQUID CRYSTALS REVIEWS

2168-0396

Crystallography

14.   

JOURNAL OF MOLECULAR GRAPHICS & MODELLING

1093-3263

Crystallography

15.   

CRYSTALLOGRAPHY REPORTS

1063-7745

Crystallography

16.   

CRYSTALLOGRAPHY REVIEWS

0889-311X

Crystallography

17.   

CRYSTAL RESEARCH AND TECHNOLOGY

0232-1300

Crystallography

18.   

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS

2194-4946

Crystallography

19.   

ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES

1433-7266

Crystallography

20.   

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY

2059-7983

Crystallography

21.   

ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS

2053-230X

Crystallography

22.   

PROGRESS IN CRYSTAL GROWTH AND CHARACTERIZATION OF MATERIALS

0960-8974

Crystallography

23.   

CRYSTALS

2073-4352

Crystallography

24.   

JOURNAL OF CRYSTAL GROWTH

0022-0248

Crystallography

25.   

PHASE TRANSITIONS

0141-1594

Crystallography

26.   

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY

1074-1542

Crystallography