And CORRECT file
2012/10/29 Chang Qing <[log in to unmask]>:
> Here, I show some information about my data and input files of XDS.
>
> Wavelength (A) 1.0000
> Raster size (mm) 0.10240 (default)
> Raster size (mm) 0.10240 (default)
> Film width (mm) 209.72 (default)
> Film length (mm) 209.72 (default)
> Record length (pixels) 2048 (default)
> Number of records 2048 (default)
> Top limit of useful data 0.0000 (default)
> Left limit of useful data 0.0000 (default)
> spots rejected when pixel overflow at value : 65500.0
> pixels rejected at value: 0
> Oscillation starts at 0.0000
> Oscillation range 1.0000
> Lattice type: primitive
> Orientation axis 1 (vertical plane) 1*h 0*k 0*l (default)
> Orientation axis 2 (spindle) 0*h 0*k 1*l (default)
> Mosaicity 0.30000
> CrysZ (beam) axis 0.0000 (default)
> CrysY (vertical) axis 0.0000 (default)
> CrysX (spindle) axis 0.0000 (default)
> unit cell parameters not entered
> Detector (mis)orientation angles:
> CassZ (beam) axis 0.0000
> CassY (vertical) axis 0.0000
> CassX (spindle) axis 0.0000
> Detector 2 theta 0.0000
> Detector rotation 90.000 (default)
> Flat detector (default)
> Detector to crystal distance 166.20
> X beam 104.80
> Y beam 105.10
> Beam polarization 0.99000
> Detector absorption 100.00 (default)
> Air absorption length 860.00 (default)
> Crossfire y 0.0000
> Crossfire x 0.0000
> Crossfire xy 0.0000
> Horizontal box size 3.6864
> Vertical box size 3.6864
>
>
> 2012/10/29 Zhijie Li <[log in to unmask]>:
>> BTW, did you supply XDS with correct beamline/detector information in your
>> input file? Have you compared these information with your HKL2000 site file?
>> If you show us the input file and the HKL2000 site file it might be helpful.
>>
>>
>>
>> --------------------------------------------------
>> From: "Chang Qing" <[log in to unmask]>
>> Sent: Monday, October 29, 2012 12:06 AM
>> To: "Zhijie Li" <[log in to unmask]>
>> Subject: Re: [ccp4bb] How to start my XDS journey after HKL2000?
>>
>>
>>> There were no obvious error messages after XDS. Just, the result of
>>> space group was wrong. I can not solve structure through wrong space
>>> group. Quality of data is very good. I thought I could get correct
>>> result even parameters were in default as recommended in tutorial. I
>>> was confused so much.
>>>
>>> 2012/10/29 Zhijie Li <[log in to unmask]>:
>>>>
>>>> You had better also include some error message.
>>>>
>>>>
>>>> --------------------------------------------------
>>>> From: "Chang Qing" <[log in to unmask]>
>>>> Sent: Sunday, October 28, 2012 10:40 PM
>>>> To: <[log in to unmask]>
>>>> Subject: [ccp4bb] How to start my XDS journey after HKL2000?
>>>>
>>>>
>>>>> Hi all
>>>>>
>>>>> Now, I am studying XDS. I have 2 sets of data, which can correctly
>>>>> treated by HKL2000 and the results are very good. I followed the
>>>>> tutorial of XDS, but got wrong space group. Inputing the correct space
>>>>> group was helpless. Results of pointless were also wrong, and I can
>>>>> not pass scala. Can someone give me some recommendation? Thanks.
>>>>>
>>>>> Chang
>>
>>
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