dear colleagues,
i convert xds_ascii.hkl with pointless to .mtz.
but recently (possibly since the latest xds release, not sure) scala
then exits my attempts to reduce the data :
**** Reflection rotation value outside range in Batch header ****
Reflection 2 1 6 Isym = 3 Batch 73
Rotation 46.8000 should be in range 46.8000 47.4500
**** Reflection rotation value outside range in Batch header ****
Reflection 3 0 1 Isym = 5 Batch 76
Rotation 48.7500 should be in range 48.7500 49.4000
**** Reflection rotation value outside range in Batch header ****
Reflection 3 1 -1 Isym = 5 Batch 76
Rotation 48.7500 should be in range 48.7500 49.4000
**** Reflection rotation value outside range in Batch header ****
Reflection 3 1 0 Isym = 5 Batch 81
Rotation 52.0000 should be in range 52.0000 52.6500
**** Reflection rotation value outside range in Batch header ****
Reflection 3 1 5 Isym = 12 Batch 74
Rotation 47.4500 should be in range 47.4500 48.1000
**** Reflection rotation value outside range in Batch header ****
Reflection 3 1 6 Isym = 3 Batch 83
Rotation 53.3000 should be in range 53.3000 53.9500
has anybody seen this or would anybody have an idea what i have been
overlooking ?
ingo
--
CRELUX GmbH
Dr. Ingo Korndoerfer
Head of Crystallography
Am Klopferspitz 19a
82152 Martinsried
Germany
Phone: +49 89 700760210
Fax: +49 89 700760222
[log in to unmask]
www.crelux.com
Amtsgericht München HRB 165552 - Managing Directors: Dr. Michael Schäffer, Dr. Ismail Moarefi
This e-mail may contain confidential and/or privileged information. If you are not the intended recipient (or have received this e-mail in error) please notify the sender immediately and destroy this e-mail. Any unauthorized copying, disclosure or distribution of the material in this e-mail is strictly forbidden.
Diese E-Mail enthält vertrauliche und/oder rechtlich geschützte Informationen. Wenn Sie nicht der richtige Adressat sind oder diese E-Mail irrtümlich erhalten haben, informieren Sie bitte sofort den Absender und vernichten Sie diese Mail. Das unerlaubte Kopieren sowie die unbefugte Weitergabe dieser Mail ist nicht gestattet.
|