[sharp-discuss] Question about error in MAD phasing

[Bernhard Spingler]

Hi all,

I collected MAD data on Re, integrated with Mosflm, used Scala and Truncate
to prepare the data for sharp.

I get the following error, when running sharp on the 2 wavelength data:


 ***  Warning
 From LRASSN : Column type for program label FP does not match - file label
is DPHM_w1

                ECALC:  **** ERROR - Empty shell - increase NSHELL.
                                        
     autoSHARP(ECALC) project MAD set 1 id w1 ano                          


 SPACE GROUP         =    5  C2        
 MAX RESOLUTION      =     1.754
 REFLNS/SHELL        =       200
 NO OF REFLNS WANTED =      5737

  (Q)QOPEN: file opened on unit  2      Status: UNKNOWN
 Logical Name: HKLOUT      Filename: ECALC/ecalc_w1_ano.mtz

 * Output Program Labels :
 
 F E SIGE F2OR E2OR
 
 * Output File Labels :
 
 H K L FM SIGFM FPHM_w1 SIGFPHM_w1 DPHM_w1 SIGDPHM_w1 FPHM_w2 SIGFPHM_w2
DPHM_w2
 SIGDPHM_w2 FreeR_flag FM2OR F_w1_ano E_w1_ano SIGE_w1_ano F2OR_w1_ano
 E2OR_w1_ano
 
 * Output File Column Types :
 
 H H H F Q F Q D Q F Q D Q I F F F Q J J
 
 $TEXT:Number and range of reflections: $$ comment $$ 
       0 REFLNS (Excluding missing ones),  MAX F =        0.

 MIN, MAX S =  100.0000    0.0000     RESOLUTION LIMITS =     0.100       inf
 $$

    SHELL   NO OF REFLS   RESOLUTION    MEAN DSTAR^3     MEAN F^2
SMOOTHED F^2    MEAN E^2-1     MEAN(E^2-1)^2

 ECALC:  **** ERROR - Empty shell - increase NSHELL.
 Times: User:       0.2s System:    0.0s Elapsed:    0:01

Thanks for any help in adavance

Best regards

Bernhard 

*****************************

Dr. Bernhard Spingler
University of Zuerich
Inorganic Chemical Institute
Winterthurerstr. 190
CH 8057 Zuerich
Switzerland