Welcome to the Help Desk.

This page contains helpful How-to-do pamphlets, Practical materials, Hints and tricks and other suggestions that may make your crystallographic projects a little easier.

Professional Help (all Texas A & M Students, Staff and Faculty)

For Instrument Repair or Usage Questions follow this link >>  Instrument Help

Get Help

Our staff is available to assist you with your structure (at any stage).  There is no charge for Texas A & M University users, for all other users please contact us for information.  Please follow the steps outlined below for assistance.

Step one : Complete the Help Desk Worksheet! 

We will require, the full data set, structure information, user information and a brief description of the problem. 

Step two : Please compose an e-mail and send this information and the Help Desk Worksheet with the attached data (zipped if necessary).

Step three : We will examine your problem as time permits. 

Please E-MAIL us first before your office visit!  This will allow us some time to exam your problem and schedule a time to discuss it with you.

Please do not come to our offices WITHOUT the Help Desk Worksheet and the structural information!

Unannounced office visits will not speed up the process and will result in lost time and productivity!

Your problem may require many hours of work so please be patient.

How-to-do

Crystals
Describe your crystal
Handle your crystal
Grow your crystalf
Internal crystal forces
Mount your crystal
More crystal growth
Crystal Habits

CSD
CSD for Windows

Data Collection
Data Collection Strategies
Densites
Density worksheet
Dector Distance Information
Data Collection to the sever
Choose your collimator
Generic Data Collection 3 circle

Data Reduction
how_to_integrate_apex
how_to_pseudo_twin
how_to_run_platon_cl

Preparations
Space Group Guide
Multiplicities
Space Goups
Symmetry
Z and Z prime
Absolute Config Parson's Q

Platon
How to run Platon
Twin Rot Mat

Patsee
How to Run Patsee

 

Help Desk
helpdesk_worksheet

Powder Data
Powder Data on CCD

X-ray Safety
Radiation Survey
X-ray Safety (IUCR,Reibenspies)

SAXS
saxscourse2003
saxslab

Graphics
coot_map

Tutorials
bruker_d8_tutorial
intro2xrd

Technical Notes
technotes1s2adjustment
technote_alignment
technote_commissioningtube
smart_phi_home
tech950probedrying
technote2006
technoteapex
tech_note_d8_door
trouble-shoot-note1

Miscellaneous
convertingPctoPn
chemicalacronyms
how-to-transfer-server
how_to_bar_word
how_to_clear_error_code_d82
how_to_format_drive
how_to_format_sw_hd_rhe5
intall_redhat_jhr
kyroflex2
mitigen
nonpolarconversion
note_anomalous_scattering
note_apiezon_grease_viscosity
note_thermal_expansion
note_vertical_powder_mount
pamplet_relative_sizes
salttable

 

Notes

Space Groups
Big 5 Spacegroups
Little 5 Space Groups
Frequency

Solvents and Ions
c6h12
c6h6
ch2cl
ch2cl2
ch3cn
ch3oh
common_ions
dioxane
solvents
thf_solvent
electron

Math/Figures of Merit
fom.pdf
Imaginary Numbers
Guinier Equation Solved
hieroglyphs
note_imaginary_numbers

Meetings
reibenspiess_ppxrd
ecm_2004_reibens

Miscellaneous
sucrose
sugar_crystals

User Manuals (all are freely avialable on the web)

apexiiusermanual
bis_op
brukerd8advtutorial
bruker_apex_install_linux_redhat
bruker_guide
cameronusersmanual
cell_now
cifguide
cifreferencemanual
cosmo
crunch
cullite_stock_references
d4manual
detectordistancebeamcenter
dirdif
error_codes
evasearchcomplete
expo
fit2d_intro
fit2d_ref_10.3
gadds
gaddsmanuall
gaddsquickguide
gemanual
kristalflex
kryoflexmanual
kyroflex2
kyroflex_french
liebert
Lytron_startup
manual-RC006-RC045-G02-820-0043
manual_jana98
nanostar
news_letter_blurb
oxford
oxford_lt_probe
patsee
phihome1000
platon
platon_flipper
platon_twinning
pluton
primus
prot
RADIATION SAFETYTRAINING GUIDE 441-1-12
rasmol
REGULATORY GUIDE 08-029
rlatt_help
rotax
sadabs
saxsdatacollection
service-chiller-maint-930-0011[1]
service-clean-pdp-strainer-930-0006[1]
service-maintenance-pdp-820-0148[1]
sfactableforshelxcu
sfactableforshelxmo
shelx-de
shelx
shelxd
shelxtl_nt
Shelx_97
sir92
sir97
smart_troubleshooting_manual
struplo
topas
twinabs
upgradingbruker-axscomputers
usermanagerusermanual_04
vncforwindows
wingx
winplotr_epdic
xdb
xpcommands
xraylec
xraysafety
xshellover
xshellquickhelp
xshell_tutor
xshell_users
xtalgrow

References

William Clegg and David G. Watson (2008) Acta Cryst. E64, e15-e17.

ABSCOR:
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.

APEX, APEX2, SMART, SAINT, SAINT-Plus:
Bruker (2007). Program name(s). Bruker AXS Inc., Madison, Wisconsin, USA. [Older versions (pre-1997) should refer to SiemensAnalytical X-ray Instruments Inc. instead of Bruker AXS.]

CAD-4 Software:
Enraf–Nonius (1989). CAD-4 Software (or CAD-4 EXPRESS). Enraf–Nonius, Delft, The Netherlands.

Cambridge Structural Database:
Allen, F. R. (2002). Acta Cryst. B58, 380–388.

CAMERON:
Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON.Chemical Crystallography Laboratory, Oxford, England.

CrysAlis CCD, CrysAlis RED and associated programs:
Oxford Diffraction (2006). Program name(s). Oxford Diffraction Ltd,Abingdon, England.

CRYSTALS:
Betteridge, P. W., Carruthers, J. R., Cooper, R. I., Prout, K. & Watkin,D. J. (2003). J. Appl. Cryst. 36, 1487.

COLLECT:
Nonius [or Hooft, R.W.W.] (1998). COLLECT. Nonius BV, Delft, The Netherlands.

DENZO/SCALEPACK:
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307–326. New York: Academic Press.

DIAMOND:
Brandenburg, K. [or Brandenburg, K. & Putz, H., or Brandenburg, K.& Berndt, M.] (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.

DIF4 and REDU4:
Stoe & Cie (1991). Program name(s). Stoe & Cie, Darmstadt, Germany.DIRAX:
Duisenberg, A. J. M. (1992). J. Appl. Cryst. 25, 92–96.

enCIFer:
Allen, F. H., Johnson, O., Shields, G. P., Smith, B. R. & Towler, M.(2004). J. Appl. Cryst. 37, 335–338.

EVALCCD:
Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A. M. M.(2003). J. Appl. Cryst. 36, 220–229.

JANA2000:
Petrˇıcˇek, V. & Dusˇek, M. (2000). JANA2000. Institute of Physics, CzechAcademy of Sciences, Prague, Czech Republic.

Mercury:
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P.,Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39,453–457.

Mogul:
Bruno, I. J., Cole, J. C., Kessler,M., Luo, J., Motherwell,W. D. S., Purkis,L. H., Smith, B. R., Taylor, R., Cooper, R. I., Harris, S. E. & Orpen, A. G. (2004). J. Chem. Inf. Comput. Sci. 44, 2133–2144.

ORTEPII:
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak RidgeNational Laboratory, Tennessee, USA.

ORTEPIII:
Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL- 6895. Oak Ridge National Laboratory, Tennessee, USA.

ORTEP-3:
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.

PARST:
Nardelli, M. (1995). J. Appl. Cryst. 28, 659.

PLATON:
Spek, A. L. (2003). J. Appl. Cryst. 36, 7–13.

PROCESS:
Rigaku (1996). PROCESS. Rigaku Corporation, Tokyo, Japan.

PROCESS-AUTO:
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.

publCIF:
Westrip, S. P. (2008). publCIF. In preparation.

SADABS, TWINABS:
Bruker (2001). Program name. Bruker AXS Inc., Madison, Wisconsin,USA.
or
Sheldrick, G. M. (1996). Program name. University of Go¨ ttingen,Germany.
All programs beginning with SHELX:
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.

SIR92:
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla,M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.

SIR97:
Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo,C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999).J. Appl. Cryst. 32, 115–119.

SIR2002:
Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Polidori, G. & Spagna, R. (2003). J. Appl. Cryst. 36, 1103.

TEXSAN:
Molecular Structure Corporation & Rigaku (2000). TEXSAN. MSC, The Woodlands, Texas, USA, and Rigaku Corporation, Tokyo, Japan.

WinGX:
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837–838.

X-AREA, X-RED, X-RED32, X-SHAPE:
Stoe & Cie (2002). Program name(s). Stoe & Cie, Darmstadt, Germany.

XCAD4:
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.

XSCANS:
Siemens (1994). XSCANS. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.

X-SEED:
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191