Not here. SIGF is in the mtz output from refmac 5.7.029 is right below F:
4 NONE 0.0 32.0 0 100.00 16.03 16.03 117.37 1.90 I
FreeR_flag
5 NONE 20.0 11667.8 12429 96.42 805.15 805.15 117.37 1.90 F F
6 NONE 8.6 311.4 12429 96.42 88.74 88.74 117.37 1.90 Q
SIGF
7 NONE 0.0329367.6 0 100.00 764.82 764.82 117.37 1.90 F
FC
8 NONE 0.0 360.0 0 100.00 179.27 179.27 117.37 1.90
P PHIC
Boaz
Boaz Shaanan, Ph.D.
Dept. of Life Sciences
Ben-Gurion University of the Negev
Beer-Sheva 84105
Israel
E-mail: [email protected]
Phone: 972-8-647-2220 Skype: boaz.shaanan
Fax: 972-8-647-2992 or 972-8-646-1710
From: CCP4 bulletin board [[email protected]] on behalf of Jan Abendroth
[[email protected]]
Sent: Friday, July 27, 2012 9:10 AM
To: [email protected]
Subject: [ccp4bb] refmac5, SIGF/SIGIMEAN labels
Hi all,
we noticed a strange behaviour of refmac5.7.0029 that comes with CCP4-6.3.
We run a most basic script: 5 rounds of restrained refinement with all default
parameters. The input mtz file contains besides H/K/L and FreeR_flag,
IMEAN/SIGIMEAN, and F/SIGF.
Refmac 5.6.0117 outputs F/SIGF, while
Refmac 5.7.0029 outputs F/SIGIMEAN, see mtzdmp output below.
Any ideas?
Cheers,
Jan
CCP4 6.2: Refmac_5.6.0117 version 5.6.0117 : 13/06/11
Col Sort Min Max Num % Mean Mean Resolution Type
Column
num order Missing complete abs. Low High
label
1 ASC 0 22 0 100.00 8.4 8.4 47.42 2.40 H H
2 NONE 0 34 0 100.00 12.7 12.7 47.42 2.40 H K
3 NONE 0 38 0 100.00 14.4 14.4 47.42 2.40 H L
4 NONE 0.0 19.0 0 100.00 9.44 9.44 47.42 2.40 I
FreeR_flag
5 NONE 11.4 2203.4 123 99.28 291.26 291.26 47.42 2.40 F F
6 NONE 3.2 87.0 123 99.28 20.52 20.52 47.42 2.40 Q SIGF
7 NONE 0.3 12246.7 0 100.00 299.12 299.12 47.42 2.40 F FC
8 NONE 0.0 360.0 0 100.00 177.62 177.62 47.42 2.40 P PHIC
9 NONE 0.1 2176.5 0 100.00 261.72 261.72 47.42 2.40 F
FC_ALL
10 NONE 0.0 360.0 0 100.00 178.73 178.73 47.42 2.40 P
PHIC_ALL
11 NONE 0.0 2230.3 0 100.00 272.42 272.42 47.42 2.40 F FWT
12 NONE 0.0 360.0 0 100.00 179.06 179.06 47.42 2.40 P PHWT
13 NONE 0.0 1672.5 0 100.00 57.74 57.74 47.42 2.40 F
DELFWT
14 NONE 0.0 360.0 0 100.00 169.39 169.39 47.42 2.40 P
PHDELWT
15 NONE 0.000 1.000 0 100.00 0.747 0.747 47.42 2.40 W FOM
CCP4 6.3: Refmac_5.7.0029 version 5.7.0029 : 25/06/12
Col Sort Min Max Num % Mean Mean Resolution Type
Column
num order Missing complete abs. Low High
label
1 ASC 0 22 0 100.00 8.4 8.4 47.42 2.40 H H
2 NONE 0 34 0 100.00 12.7 12.7 47.42 2.40 H K
3 NONE 0 38 0 100.00 14.4 14.4 47.42 2.40 H L
4 NONE 0.0 19.0 0 100.00 9.44 9.44 47.42 2.40 I
FreeR_flag
5 NONE 10.9 2108.7 123 99.28 278.90 278.90 47.42 2.40 F F
6 NONE 2.2 1407.1 123 99.28 54.10 54.10 47.42 2.40 Q
SIGIMEAN
7 NONE 0.1 12718.0 0 100.00 288.12 288.12 47.42 2.40 F FC
8 NONE 0.0 360.0 0 100.00 176.98 176.98 47.42 2.40 P PHIC
9 NONE 0.0 2029.2 0 100.00 248.94 248.94 47.42 2.40 F
FC_ALL
10 NONE 0.0 360.0 0 100.00 180.23 180.23 47.42 2.40 P
PHIC_ALL
11 NONE 0.0 2188.2 0 100.00 261.08 261.08 47.42 2.40 F FWT
12 NONE 0.0 360.0 0 100.00 179.22 179.22 47.42 2.40 P PHWT
13 NONE 0.0 1556.5 0 100.00 55.53 55.53 47.42 2.40 F
DELFWT
14 NONE 0.0 360.0 0 100.00 167.97 167.97 47.42 2.40 P
PHDELWT
15 NONE 0.000 1.000 0 100.00 0.744 0.744 47.42 2.40 W FOM
16 NONE 0.1 2270.0 0 100.00 267.05 267.05 47.42 2.40 F
FC_ALL_LS
17 NONE 0.0 360.0 0 100.00 180.30 180.30 47.42 2.40 P
PHIC_ALL_LS
--
Jan Abendroth
Emerald BioStructures
Seattle / Bainbridge Island WA, USA
home: Jan.Abendroth_at_gmail.com
work: JAbendroth_at_embios.com
http://www.emeraldbiostructures.com
