Powder Diffraction Indexing Benchmarks

The 20 bethanecol chloride tests in color
tests 19 and 20 : synchrotron data
tests 17 and 18 : high quality conventional X-ray
tests 1 to 16 : various bad quality data

vvv
 no result = -1

successful indexing = +1

half successful = 0

no result at all in the column

free for academy

commercial not competing

zero or positive note

all combined

standalone combined

CRYSFIRE global

individual in CRYSFIRE


Questions :
Why tests 1, 9, 11 and 13 are never successful ?
Why TAUP is so efficient in manual mode and not at all in default mode in CRYSFIRE ?
Why commercial programs do not compete ?
Etc...


Access
 01
 02
 03
 04
 05
 06
 07
 08
 09
 10
 11
 12
 13
 14
 15
 16
 17
 18
 19
 20
 Note
ITO13 standalone




















-14
DICVOL91 standalone




















-8
TREOR90 standalone




















-4
DICVOL04 standalone




















+3
McMaille standalone




















+5
First 5 above Combined




















+11
All combined




















+12
CRYSFIRE global




















+6
TAUP in CRYSFIRE




















0
KOHL in CRYSFIRE




















-5
TREOR90 in CRYSFIRE




















-8
DICVOL91 in CRYSFIRE




















-12
McMaille in CRYSFIRE




















-12
LOSH in CRYSFIRE




















-14
Mmap in CRYSFIRE




















-14
Hmap in CRYSFIRE




















-15
FJZN in CRYSFIRE




















-16
ITO12 in CRYSFIRE




















-16
LZON in CRYSFIRE




















-20
AUTOX





















SVDindex in TOPAS





















Xcell in Material Studio























0
 6
 3
 8
 3
 6
 3
 10
 0
 5
 0
 8
 0
 5
 5
 13
 10
 15
 14
 18


10 tests in default mode

Comments :
The key to the success for a beginner working in default mode :  
either combine many programs or obtain synchrotron data or very nice conventional X-ray data.
Default mode is inefficient in most programs when facing bad quality data.
All programs need for large improvements in default mode ?


 Access
 01
 03
 05
 07
 09
 11
 13
 15
 17
 19
 Note
ITO13 standalone










-8
DICVOL91 standalone










-6
DICVOL04 standalone










-6
TREOR90 standalone










-2
McMaille standalone










-2
First 5 above Combined










+2
All combined










+2
CRYSFIRE global










-4
TAUP in CRYSFIRE










-10
KOHL in CRYSFIRE










-4
TREOR90 in CRYSFIRE










-8
DICVOL91 in CRYSFIRE










-6
McMaille in CRYSFIRE










-6
LOSH in CRYSFIRE










-10
Mmap in CRYSFIRE










-10
Hmap in CRYSFIRE










-10
FJZN in CRYSFIRE










-8
ITO12 in CRYSFIRE










-8
LZON in CRYSFIRE










-10
AUTOX











SVDindex in TOPAS











Xcell in Material Studio













0
 3
 3
 3
 0
 0
 0
 5
 10
 14


10 tests in manual mode

Comments :
Results are much better in manual mode than in default mode, but the manual mode is more difficult for a beginner.
TAUP is the best in manual mode (100% success !).
An experienced user does not need necessarily synchrotron data nor nice conventional X-ray data.


 Access
 02
 04
 06
 08
 10
 12
 14
 16
 18
 20
 Note
ITO13 standalone










-6
DICVOL91 standalone










-2
TREOR90 standalone










-2
McMaille standalone










+5
DICVOL04 standalone










+9
First 5 above Combined










+9
All combined










+10
CRYSFIRE global










+10
TAUP in CRYSFIRE










+10
KOHL in CRYSFIRE










-1
TREOR90 in CRYSFIRE










0
DICVOL91 in CRYSFIRE










-6
McMaille in CRYSFIRE










-6
LOSH in CRYSFIRE










-4
Mmap in CRYSFIRE










-4
Hmap in CRYSFIRE










-5
FJZN in CRYSFIRE










-8
ITO12 in CRYSFIRE










-8
LZON in CRYSFIRE










-10
AUTOX











SVDindex in TOPAS











Xcell in Material Studio













6
 8
 6
 10
 5
 8
 5
 13
 16
 18