Crystallographic Tool Box

Useful programs and scripts for day to day Crystallographic Work

 

These programs are written in javascript. To use these scripts your browser must be java enabled.

Other crystallographic Java Scripts (Steffen Weber)

X-ray Properties of the Elements ( P. Bandyopadhyay and C.U. Segre, http://www.csrri.iit.edu/mucal.html)

Web Elements ( Mark Winter [The University of Sheffield and WebElements Ltd, UK] )

Crystal Lattice Structures (Naval Research Laboratory)

Misc. Utilities. (Aarhus Universitet)

 

Data Planners

Data Collection Planner (Routine)
Data Collection Planner (Absolute Configuration)

 

 

 

 

Conversion Table     Copper   <-->  Chromium Radiation

 

Cu (2theta) Cr (2theta) Cu (2theta) Cr (2theta)
Angstroms 1.5418 2.2897 Angstroms 1.5418 2.2897
25.00 3.53 5.25 6.00 14.76 22.00
22.10 4.00 5.94 5.00 17.74 26.47
20.00 4.42 6.56 4.00 22.22 33.26
19.00 4.65 6.91 3.00 29.78 44.87
18.00 4.91 7.29 2.75 32.56 49.20
17.00 5.20 7.72 2.50 35.92 54.51
16.00 5.52 8.21 2.25 40.07 61.17
15.00 5.89 8.75 2.00 45.34 69.84
14.00 6.31 9.38 1.90 47.87 74.11
13.00 6.80 10.10 1.80 50.72 78.99
12.00 7.37 10.95 1.70 53.93 84.67
11.00 8.04 11.95 1.60 57.61 91.37
10.00 8.84 13.15 1.50 61.85 99.50
9.00 9.83 14.62 1.40 66.82 109.72
8.00 11.06 16.46 1.30 72.74 123.44
7.00 12.65 18.83 1.20 79.94 145.12

Crystallographic Calculators

Density Calculator
Unit Cell Calculator
Crystallographic Calculator
pop-up calculator
Click here to open weight calculator in a new window.
SMILES description generator

Messages and Postit notes

Click here to open Posit-signs in a new window.

 

Miscellaneous

Click here to open tic-tack-toe in a new window.
Click here to open memo pad in a new window.

Programs and Downloads
Feel free to download these programs and files.  If you modify the file please rename it.

 

XL lst file reader WEED MS_COMPILED SOURCE
SAINT *._ls reader SIFT MS_COMPILED SOURCE
TCL/TK shelx interface XGU MS Windows Linux
CIF file modifier   CIFIX MS_COMPILED SOURCE
Plotso file to Q converter PLOTSO2Q MS_COMPILED SOURCE
Plotso file to K converter PLOTSO2K MS_COMPILED SOURCE
Formula Weight Calculator FW MS_COMPILED  
Copy/Backup RES 2 INS R2I MS_COMPILED SOURCE
RES Archiver Program SAVE MS_COMPILED SOURCE
INS remark adding Program RE MS_COMPILED SOURCE
FORTRAN99 for Windows      
TCL/TK for windows