Your plots look strangely different to the old Scala output you posted before, but never mind.

Paul is right that a negative intensity is not desired and your crystal has some issues with ice.

That one icering around 2.26 must be massive taken into account how haywire your curve goes there.

Have you had a look at the images? There should be something visible in that area.


Am 08.08.2017 um 15:17 schrieb Paul Emsley:
On 08/08/2017 15:07, Satvik Kumar wrote:
Dear Prof. Powell and Prof. Dodson,

Thanks for your reply and advise.

As per your suggestion, I have re-scaled the intensities using Aimless at 1.861 A.

I observe that the I/sigI has dropped to -0.8

That's not good.

> and the behaviour of CC_1/2 is still anomalous.

That made me laugh out loud. Perhaps not the best choice of adjective.

Also, when I inspect the Wilson plot (Fig. 1), I observe that the curve does not fall smoothly with respect to the reference curve (blue). Even with respect to one more Wilson plot from CCP4 website (Fig. 2), the curve from my aimless output is different and discontinuous.


/me wonders if CCP4 are distributing auspex yet...

The second moment of I is constant only up to a resolution of 2.4 Å at a value of 3 (Fig. 3). I was not able to get some other plot to compare against mine.

Please tell me if I can still go ahead and refine at 1.861 A.

No you can't.

Maybe with some chopping you can rescue some reflections beyond 2.1.


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