No subject
Mon Mar 12 09:43:37 PDT 2012
The full list of Patterson peaks is:
x y z height p-value(height)
( 0.500, 0.500, 0.165 ) : 78.635 (6.634e-07)
( 0.000, 0.000, 0.330 ) : 56.292 (2.795e-05)
( 0.500, 0.500, 0.497 ) : 30.920 (1.207e-03)
One word of caution: an exceptionally high off-origin peak can mean
that the unit cell was measured too large, and you've integrated extra
reflections that are really non-existent. (I'm not sure what the
threshold for this is, but 80% seems pretty large.) Splitting and
various indexing artifacts can sometimes lead to this. I'd recommend
running labelit.index on the images and seeing what it thinks the
lattice should be.
-Nat
_______________________________________________
phenixbb mailing list
phenixbb at phenix-online.org<mailto:phenixbb at phenix-online.org>
http://phenix-online.org/mailman/listinfo/phenixbb
_______________________________________________
phenixbb mailing list
phenixbb at phenix-online.org<mailto:phenixbb at phenix-online.org>
http://phenix-online.org/mailman/listinfo/phenixbb
......................
J=FCrgen Bosch
Johns Hopkins University
Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Office: +1-410-614-4742
Lab: +1-410-614-4894
Fax: +1-410-955-2926
http://web.mac.com/bosch_lab/
<xtriage_I4.log>_______________________________________________
phenixbb mailing list
phenixbb at phenix-online.org<mailto:phenixbb at phenix-online.org>
http://phenix-online.org/mailman/listinfo/phenixbb
......................
J=FCrgen Bosch
Johns Hopkins University
Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Office: +1-410-614-4742
Lab: +1-410-614-4894
Fax: +1-410-955-2926
http://web.mac.com/bosch_lab/
--_000_DD5692AE74C54906B8497CF9DD651ED8jhsphedu_
Content-Type: text/html; charset="Windows-1252"
Content-Transfer-Encoding: quoted-printable
<html><head><base href=3D"x-msg://468/"></head><body style=3D"word-wrap: br=
eak-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; =
">To what does the twin fraction refine to ? If it's close to 50% I suspect=
you have too low symmetry and should use the higher symmetry space group.<=
div>What's wrong with I422 and 27/32 when you have 2.7 =C5 data ?</div><div=
><br></div><div>J=FCrgen</div><div> <br><div><div>On May 8, 2012, at 1=
1:11 AM, Zhou, Tongqing (NIH/VRC) [E] wrote:</div><br class=3D"Apple-interc=
hange-newline"><blockquote type=3D"cite"><span class=3D"Apple-style-span" s=
tyle=3D"border-collapse: separate; font-family: Palatino; font-style: norma=
l; font-variant: normal; font-weight: normal; letter-spacing: normal; line-=
height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; tex=
t-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webk=
it-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -w=
ebkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -we=
bkit-text-stroke-width: 0px; font-size: medium; "><div lang=3D"EN-US" link=
=3D"blue" vlink=3D"purple"><div class=3D"WordSection1" style=3D"page: WordS=
ection1; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0=
in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman=
', serif; "><a name=3D"_MailEndCompose"><span style=3D"font-family: Arial, =
sans-serif; color: rgb(23, 55, 94); ">Hi<span class=3D"Apple-converted-spac=
e"> </span></span></a><span style=3D"font-family: Arial, sans-serif; c=
olor: rgb(23, 55, 94); ">J=FCrgen, Kelly and Nat,<o:p></o:p></span></div><d=
iv style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bo=
ttom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><=
span style=3D"font-family: Arial, sans-serif; color: rgb(23, 55, 94); "><o:=
p> </o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in=
; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: =
'Times New Roman', serif; "><span style=3D"font-family: Arial, sans-serif; =
color: rgb(23, 55, 94); ">I tried XDS and MosFilm, they simply cannot index=
the data.<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-rig=
ht: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-f=
amily: 'Times New Roman', serif; "><span style=3D"font-family: Arial, sans-=
serif; color: rgb(23, 55, 94); "><o:p> </o:p></span></div><div style=
=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.=
0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span sty=
le=3D"font-family: Arial, sans-serif; color: rgb(23, 55, 94); ">I reprocess=
ed the data yesterday with HKL2000 starting from frame #30 (splitting=
1-29, 30-360), I did get it indexed to I4 and refined to very nice x/y chi=
^2 and covering most spots, I then used the index/refinement numbers for th=
e whole data set. it seems that other spots were from a =93nicely=94 positi=
oned secondary crystal which fooled the program to pick P4 space group.<o:p=
></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margi=
n-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times =
New Roman', serif; "><span style=3D"font-family: Arial, sans-serif; color: =
rgb(23, 55, 94); "><o:p> </o:p></span></div><div style=3D"margin-top: =
0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-siz=
e: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"font-famil=
y: Arial, sans-serif; color: rgb(23, 55, 94); ">I scaled the data as I4 and=
I422 to see which one is better. The I4 data set, ~95% complete overall, 9=
.2% R-sym. Xtriage suggested it should have higher symmetry I422 or twin (-=
k, -h, -l, almost 50%). MR sent well and best SG is I4, 2 mol/ASU, r =
and r-free went to about 27% and 32%, but if I used the twin-law in phenix.=
refine and ask phenix to generate r-free-flags with twinning in mind, the n=
umbers went to ~22% and 27%. <o:p></o:p></span></div><div style=
=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.=
0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span sty=
le=3D"font-family: Arial, sans-serif; color: rgb(23, 55, 94); "><o:p> =
</o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin=
-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times N=
ew Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Courier Ne=
w'; ">Shell Lower Upper Average Average =
Norm. Linear Square<o:p></o:p></span></div><div style=3D=
"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.000=
1pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=
=3D"font-size: 9pt; font-family: 'Courier New'; ">limit A=
ngstrom I error =
stat. Chi**2 R-fac R-fac<o:p></o:p></span></div><div style=3D"=
margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001=
pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=
=3D"font-size: 9pt; font-family: 'Courier New'; "> &=
nbsp; 50.00 7.32 440.7 8.8&=
nbsp; 5.1 1.481 0.027 0.030<o:p></o:p><=
/span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: =
0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roma=
n', serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; ">&=
nbsp; 7.32 5.81 167.2=
4.2 3.2 1.868 =
0.045 0.048<o:p></o:p></span></div><div style=3D"margin-top: 0in; mar=
gin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt;=
font-family: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; fo=
nt-family: 'Courier New'; "> 5.81 =
5.08 196.3 5.1 =
3.9 2.130 0.053 0.058<o:p></o:p></span></div><div =
style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-botto=
m: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><spa=
n style=3D"font-size: 9pt; font-family: 'Courier New'; "> =
5.08 4.62 243.1  =
; 6.2 4.7 2.264 0.056 0.061=
<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; m=
argin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Ti=
mes New Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Couri=
er New'; "> 4.62 4.29 =
236.7 6.4 4.9 =
2.057 0.055 0.055<o:p></o:p></span></div><div style=3D"margin-t=
op: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font=
-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"font-s=
ize: 9pt; font-family: 'Courier New'; ">  =
; 4.29 4.03 167.6 5.6 =
4.7 1.819 0.067 0.066<o:p></o:p></span=
></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; =
margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', s=
erif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; "> =
4.03 3.83 139.5 =
; 5.6 5.0 1.740 0.083=
0.075<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-r=
ight: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font=
-family: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; font-fa=
mily: 'Courier New'; "> 3.83  =
; 3.66 110.2 5.5  =
; 5.1 1.645 0.102 0.091<o:p></o:p></span></div><div style=
=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.=
0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span sty=
le=3D"font-size: 9pt; font-family: 'Courier New'; ">  =
; 3.66 3.52 92.5  =
; 5.6 5.3 1.459 0.117 0.101=
<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; m=
argin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Ti=
mes New Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Couri=
er New'; "> 3.52 3.40 =
76.5 5.7 5.4&n=
bsp; 1.372 0.143 0.124<o:p></o:p></span></div><div style=3D"mar=
gin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt;=
font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"f=
ont-size: 9pt; font-family: 'Courier New'; "> =
3.40 3.30 59.3 =
5.7 5.5 1.278 0.179 0.146<o:p></=
o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-l=
eft: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New=
Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'=
; "> 3.30 3.20 &=
nbsp; 47.3 5.7 5.6 1.=
161 0.212 0.179<o:p></o:p></span></div><div style=3D"margin-top=
: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-s=
ize: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"font-siz=
e: 9pt; font-family: 'Courier New'; "> =
3.20 3.12 40.7 5.8&nb=
sp; 5.7 1.103 0.241 0.201<o:p></o:p></s=
pan></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0i=
n; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman'=
, serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; ">&nb=
sp; 3.12 3.04 3=
1.6 5.8 5.8 1.057&nbs=
p; 0.298 0.254<o:p></o:p></span></div><div style=3D"margin-top: 0in; =
margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12=
pt; font-family: 'Times New Roman', serif; "><span style=3D"font-size: 9pt;=
font-family: 'Courier New'; "> 3.04&nb=
sp; 2.97 28.9 5.9 &nbs=
p; 5.9 1.031 0.331 0.271<o:p></o:p></span></d=
iv><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; marg=
in-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif=
; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; "> &nbs=
p; 2.97 2.91 22.6&nbs=
p; 5.9 5.9 0.985 0.40=
0 0.340<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-=
right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; fon=
t-family: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; font-f=
amily: 'Courier New'; "> 2.91 &nbs=
p; 2.85 19.0 6.0  =
; 6.0 0.991 0.484 0.405<o:p></o:p></span></div><div=
style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bott=
om: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><sp=
an style=3D"font-size: 9pt; font-family: 'Courier New'; ">  =
; 2.85 2.80 17.1  =
; 6.1 6.1 0.957 0.518 =
0.437<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: =
0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-famil=
y: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; font-family: =
'Courier New'; "> 2.80 2.75=
14.6 6.2 =
6.2 0.908 0.577 0.485<o:p></o:p></span></div><div style=
=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.=
0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span sty=
le=3D"font-size: 9pt; font-family: 'Courier New'; ">  =
; 2.75 2.70 13.0  =
; 6.4 6.3 0.931 0.645 0.550=
<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; m=
argin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Ti=
mes New Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Couri=
er New'; "> All reflections 112.9 =
5.9 5.3 1.455 0.092 0.066<=
/span><span style=3D"font-family: Arial, sans-serif; color: rgb(23, 55, 94)=
; "><o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0i=
n; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family:=
'Times New Roman', serif; "><span style=3D"font-family: Arial, sans-serif;=
color: rgb(23, 55, 94); "><o:p> </o:p></span></div><div style=3D"marg=
in-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; =
font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"fo=
nt-family: Arial, sans-serif; color: rgb(23, 55, 94); ">The I422 data (belo=
w), 1 mol/ASU, r and r-free were<span class=3D"Apple-converted-space"> =
;</span></span><span style=3D"font-family: Arial, sans-serif; color: rgb(23=
, 55, 94); ">about 27% and 32%.</span><span style=3D"font-family: Arial, sa=
ns-serif; color: rgb(23, 55, 94); "><o:p></o:p></span></div><div style=3D"m=
argin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001p=
t; font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D=
"font-family: Arial, sans-serif; color: rgb(23, 55, 94); "><o:p> </o:p=
></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left=
: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Ro=
man', serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; "=
>Shell Lower Upper Average Average  =
; Norm. Linear Square<o:p></o:p></span></div><div style=3D"marg=
in-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; =
font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"fo=
nt-size: 9pt; font-family: 'Courier New'; ">limit Angstro=
m I error stat.=
Chi**2 R-fac R-fac<o:p></o:p></span></div><div style=3D"margin=
-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; fo=
nt-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"font=
-size: 9pt; font-family: 'Courier New'; "> 50=
.00 7.32 430.0 8.4 &nb=
sp; 5.0 1.344 0.025 0.028<o:p></o:p></span></=
div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; mar=
gin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', seri=
f; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; "> &nb=
sp; 7.32 5.81 163.4 &n=
bsp; 4.0 3.0 1.489 0.040&nb=
sp; 0.042<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-righ=
t: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-fa=
mily: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; font-famil=
y: 'Courier New'; "> 5.81 5=
.08 192.4 4.8 3=
.6 1.694 0.046 0.052<o:p></o:p></span></div><div style=3D=
"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.000=
1pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=
=3D"font-size: 9pt; font-family: 'Courier New'; "> &=
nbsp; 5.08 4.62 231.6 =
5.6 4.3 1.790 0.049 0.053<o:p></=
o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-l=
eft: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New=
Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'=
; "> 4.62 4.29 =
227.8 5.8 4.5 1.534&n=
bsp; 0.045 0.043<o:p></o:p></span></div><div style=3D"margin-top: 0in=
; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: =
12pt; font-family: 'Times New Roman', serif; "><span style=3D"font-size: 9p=
t; font-family: 'Courier New'; "> 4.29&=
nbsp; 4.03 161.3 5.0 &=
nbsp; 4.2 1.401 0.055 0.052<o:p></o:p></span></div>=
<div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-=
bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "=
><span style=3D"font-size: 9pt; font-family: 'Courier New'; "> &=
nbsp; 4.03 3.83 135.3 =
5.0 4.4 1.367 0.066 =
0.059<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0=
in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family=
: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; font-family: '=
Courier New'; "> 3.83 3.66&=
nbsp; 106.2 4.9 4.4&n=
bsp; 1.302 0.082 0.071<o:p></o:p></span></div><div style=3D"mar=
gin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt;=
font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"f=
ont-size: 9pt; font-family: 'Courier New'; "> =
3.66 3.52 88.1 =
4.8 4.5 1.253 0.097 0.082<o:p></=
o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-l=
eft: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New=
Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'=
; "> 3.52 3.40 &=
nbsp; 75.0 4.9 4.6 1.=
193 0.113 0.096<o:p></o:p></span></div><div style=3D"margin-top=
: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-s=
ize: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"font-siz=
e: 9pt; font-family: 'Courier New'; "> =
3.40 3.30 56.7 4.8&nb=
sp; 4.6 1.121 0.144 0.115<o:p></o:p></s=
pan></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0i=
n; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman'=
, serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; ">&nb=
sp; 3.30 3.20 4=
4.8 4.8 4.7 1.061&nbs=
p; 0.172 0.141<o:p></o:p></span></div><div style=3D"margin-top: 0in; =
margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12=
pt; font-family: 'Times New Roman', serif; "><span style=3D"font-size: 9pt;=
font-family: 'Courier New'; "> 3.20&nb=
sp; 3.12 38.0 4.8 &nbs=
p; 4.7 1.011 0.203 0.166<o:p></o:p></span></d=
iv><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; marg=
in-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif=
; "><span style=3D"font-size: 9pt; font-family: 'Courier New'; "> &nbs=
p; 3.12 3.04 29.1&nbs=
p; 4.7 4.7 1.029 0.25=
3 0.209<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-=
right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; fon=
t-family: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; font-f=
amily: 'Courier New'; "> 3.04 &nbs=
p; 2.97 27.7 4.8  =
; 4.8 0.985 0.261 0.209<o:p></o:p></span></div><div=
style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bott=
om: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><sp=
an style=3D"font-size: 9pt; font-family: 'Courier New'; ">  =
; 2.97 2.91 21.4  =
; 4.9 4.8 0.917 0.320 =
0.266<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: =
0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-famil=
y: 'Times New Roman', serif; "><span style=3D"font-size: 9pt; font-family: =
'Courier New'; "> 2.91 2.85=
18.3 4.9 =
4.8 0.949 0.380 0.316<o:p></o:p></span></div><div style=
=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.=
0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span sty=
le=3D"font-size: 9pt; font-family: 'Courier New'; ">  =
; 2.85 2.80 16.1  =
; 4.9 4.9 0.955 0.431 0.358=
<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; m=
argin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Ti=
mes New Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Couri=
er New'; "> 2.80 2.75 =
14.2 5.0 5.0&n=
bsp; 0.940 0.483 0.399<o:p></o:p></span></div><div style=3D"mar=
gin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt;=
font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"f=
ont-size: 9pt; font-family: 'Courier New'; "> =
2.75 2.70 12.6 =
5.2 5.2 0.886 0.536 0.462<o:p></=
o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-l=
eft: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New=
Roman', serif; "><span style=3D"font-size: 9pt; font-family: 'Courier New'=
; "> All reflections 110.9 =
5.1 4.5 1.236 0.076 0.054</span><=
span style=3D"font-size: 9pt; font-family: Arial, sans-serif; color: rgb(23=
, 55, 94); "><o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-=
right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; fon=
t-family: 'Times New Roman', serif; "><span style=3D"font-size: 11pt; font-=
family: Calibri, sans-serif; color: rgb(31, 73, 125); "><o:p> </o:p></=
span></div><div><div style=3D"margin-top: 0in; margin-right: 0in; margin-le=
ft: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New =
Roman', serif; "><b><span style=3D"font-size: 10.5pt; font-family: Arial, s=
ans-serif; color: rgb(31, 73, 125); "><o:p> </o:p></span></b></div><di=
v style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bot=
tom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><s=
pan style=3D"font-size: 10.5pt; font-family: Arial, sans-serif; color: rgb(=
31, 73, 125); ">So my questions are:<o:p></o:p></span></div><div style=3D"m=
argin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001p=
t; font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=3D=
"font-size: 10.5pt; font-family: Arial, sans-serif; color: rgb(31, 73, 125)=
; "><o:p> </o:p></span></div><div style=3D"margin-top: 0in; margin-rig=
ht: 0in; margin-left: 0.5in; margin-bottom: 0.0001pt; font-size: 12pt; font=
-family: 'Times New Roman', serif; text-indent: -0.25in; "><span style=3D"f=
ont-size: 11pt; font-family: Arial, sans-serif; color: rgb(23, 55, 94); "><=
span>1.<span style=3D"font: normal normal normal 7pt/normal 'Times New Roma=
n'; "> <span class=3D"Apple-converted-space"> </span>=
</span></span></span><span style=3D"font-size: 11pt; font-family: Arial, sa=
ns-serif; color: rgb(23, 55, 94); ">Is it really twinned since including tw=
in-law in refinment gave much better numbers?<o:p></o:p></span></div><div s=
tyle=3D"margin-top: 0in; margin-right: 0in; margin-left: 0.5in; margin-bott=
om: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; text-=
indent: -0.25in; "><span style=3D"font-size: 11pt; font-family: Arial, sans=
-serif; color: rgb(23, 55, 94); "><span>2.<span style=3D"font: normal norma=
l normal 7pt/normal 'Times New Roman'; "> <span class=3D"A=
pple-converted-space"> </span></span></span></span><span style=3D"font=
-size: 11pt; font-family: Arial, sans-serif; color: rgb(23, 55, 94); ">When=
refining with twin-law, Are the maps by phenix.refine output already =93co=
rrected=94 mtz/map?</span><span style=3D"font-size: 11pt; font-family: Aria=
l, sans-serif; color: rgb(23, 55, 94); "><o:p></o:p></span></div><div style=
=3D"margin-top: 0in; margin-right: 0in; margin-left: 0.5in; margin-bottom: =
0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; text-inde=
nt: -0.25in; "><span style=3D"font-size: 11pt; font-family: Arial, sans-ser=
if; color: rgb(23, 55, 94); "><span>3.<span style=3D"font: normal normal no=
rmal 7pt/normal 'Times New Roman'; "> <span class=3D"Apple=
-converted-space"> </span></span></span></span><span style=3D"font-siz=
e: 11pt; font-family: Arial, sans-serif; color: rgb(23, 55, 94); ">If I use=
<span class=3D"Apple-converted-space"> </span></span><span style=3D"fo=
nt-size: 11pt; font-family: Arial, sans-serif; color: rgb(23, 55, 94); ">xr=
ay_data.r_free_flags.generate=3DTrue, can I write the data mtz out with the=
generated r-free-flags so that each round of refinement uses the same CV s=
et?<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in=
; margin-left: 0.25in; margin-bottom: 0.0001pt; font-size: 12pt; font-famil=
y: 'Times New Roman', serif; "><span style=3D"font-size: 11pt; font-family:=
Arial, sans-serif; color: rgb(23, 55, 94); "><o:p> </o:p></span></div=
><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin=
-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; =
"><span style=3D"font-size: 11pt; font-family: Arial, sans-serif; color: rg=
b(23, 55, 94); ">Thnaks,<o:p></o:p></span></div><div style=3D"margin-top: 0=
in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size=
: 12pt; font-family: 'Times New Roman', serif; "><b><span style=3D"font-siz=
e: 11pt; font-family: Arial, sans-serif; color: rgb(23, 55, 94); "><o:p>&nb=
sp;</o:p></span></b></div><div style=3D"margin-top: 0in; margin-right: 0in;=
margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: '=
Times New Roman', serif; "><b><span style=3D"font-size: 10.5pt; font-family=
: Arial, sans-serif; color: rgb(31, 73, 125); "><o:p> </o:p></span></b=
></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; =
margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', s=
erif; "><b><span style=3D"font-size: 10.5pt; font-family: Arial, sans-serif=
; color: rgb(31, 73, 125); "><o:p> </o:p></span></b></div><div style=
=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.=
0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><b><span =
style=3D"font-size: 10.5pt; font-family: Arial, sans-serif; color: rgb(31, =
73, 125); ">Tongqing<o:p></o:p></span></b></div><div style=3D"margin-top: 0=
in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size=
: 12pt; font-family: 'Times New Roman', serif; "><b><span style=3D"font-siz=
e: 10.5pt; font-family: Arial, sans-serif; color: rgb(31, 73, 125); "><o:p>=
</o:p></span></b></div><div style=3D"margin-top: 0in; margin-right: 0=
in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family=
: 'Times New Roman', serif; "><b><span style=3D"font-size: 10.5pt; font-fam=
ily: Arial, sans-serif; color: rgb(31, 73, 125); ">Tongqing Zhou, Ph.D.<o:p=
></o:p></span></b></div><div style=3D"margin-top: 0in; margin-right: 0in; m=
argin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Ti=
mes New Roman', serif; "><span style=3D"font-size: 10.5pt; font-family: Ari=
al, sans-serif; color: rgb(31, 73, 125); ">Staff Scientist<o:p></o:p></span=
></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; =
margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', s=
erif; "><span style=3D"font-size: 10.5pt; font-family: Arial, sans-serif; c=
olor: rgb(31, 73, 125); ">Structural Biology Section<o:p></o:p></span></div=
><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin=
-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; =
"><span style=3D"font-size: 10.5pt; font-family: Arial, sans-serif; color: =
rgb(31, 73, 125); ">Vaccine Research Center, NIAID/NIH<o:p></o:p></span></d=
iv><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; marg=
in-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif=
; "><span style=3D"font-size: 10.5pt; font-family: Arial, sans-serif; color=
: rgb(31, 73, 125); ">Building 40, Room 4609B<o:p></o:p></span></div><div s=
tyle=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom=
: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span=
style=3D"font-size: 10.5pt; font-family: Arial, sans-serif; color: rgb(31,=
73, 125); ">40 Convent Drive, MSC3027<o:p></o:p></span></div><div style=3D=
"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.000=
1pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=
=3D"font-size: 10.5pt; font-family: Arial, sans-serif; color: rgb(31, 73, 1=
25); ">Bethesda, MD 20892<o:p></o:p></span></div><div style=3D"margin-top: =
0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-siz=
e: 12pt; font-family: 'Times New Roman', serif; "><span style=3D"font-size:=
10.5pt; font-family: Arial, sans-serif; color: rgb(31, 73, 125); ">(301) 5=
94-8710 (Tel)<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-=
right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; fon=
t-family: 'Times New Roman', serif; "><span style=3D"font-size: 10.5pt; fon=
t-family: Arial, sans-serif; color: rgb(31, 73, 125); ">(301) 793-0794 (Cel=
l)<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0in;=
margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: '=
Times New Roman', serif; "><span style=3D"font-size: 10.5pt; font-family: A=
rial, sans-serif; color: rgb(31, 73, 125); ">(301) 480-2658 (Fax)<o:p></o:p=
></span></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left=
: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Ro=
man', serif; "><span style=3D"font-size: 10.5pt; font-family: Arial, sans-s=
erif; color: rgb(166, 166, 166); ">****************************************=
**************************************<o:p></o:p></span></div><div style=3D=
"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.000=
1pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><span style=
=3D"font-size: 10.5pt; font-family: Arial, sans-serif; color: rgb(166, 166,=
166); ">The information in this e-mail and any of its attachments is confi=
dential and may contain sensitive information. It should not be used by any=
one who is not the original intended recipient. If you have received this e=
-mail in error please inform the sender and delete it from your mailbox or =
any other storage devices. National Institute of Allergy and Infectious Dis=
eases shall not accept liability for any statements made that are sender's =
own and not expressly made on behalf of the NIAID by one of its representat=
ives.<o:p></o:p></span></div><div style=3D"margin-top: 0in; margin-right: 0=
in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family=
: 'Times New Roman', serif; "><span style=3D"font-size: 11pt; font-family: =
Arial, sans-serif; color: rgb(166, 166, 166); ">***************************=
***************************************</span><span style=3D"font-size: 11p=
t; font-family: Calibri, sans-serif; color: rgb(166, 166, 166); "><o:p></o:=
p></span></div></div><div style=3D"margin-top: 0in; margin-right: 0in; marg=
in-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times=
New Roman', serif; "><span style=3D"font-size: 11pt; font-family: Calibri,=
sans-serif; color: rgb(31, 73, 125); "><o:p> </o:p></span></div><div>=
<div style=3D"border-right-style: none; border-bottom-style: none; border-l=
eft-style: none; border-width: initial; border-color: initial; border-top-s=
tyle: solid; border-top-color: rgb(181, 196, 223); border-top-width: 1pt; p=
adding-top: 3pt; padding-right: 0in; padding-bottom: 0in; padding-left: 0in=
; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; mar=
gin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', seri=
f; "><b><span style=3D"font-size: 10pt; font-family: Tahoma, sans-serif; ">=
From:</span></b><span style=3D"font-size: 10pt; font-family: Tahoma, sans-s=
erif; "><span class=3D"Apple-converted-space"> </span>Bosch, Juergen [=
mailto:jubosch at jhsph.edu]<span class=3D"Apple-converted-space"> </span=
><br><b>Sent:</b><span class=3D"Apple-converted-space"> </span>Monday,=
May 07, 2012 1:34 PM<br><b>To:</b><span class=3D"Apple-converted-space">&n=
bsp;</span>PHENIX user mailing list<br><b>Subject:</b><span class=3D"Apple-=
converted-space"> </span>Re: [phenixbb] Difficult dataset and refineme=
nt--P422? I422?Twinning?<o:p></o:p></span></div></div></div><div style=3D"m=
argin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001p=
t; font-size: 12pt; font-family: 'Times New Roman', serif; "><o:p> </o=
:p></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in=
; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman',=
serif; ">Why don't you index over the whole dataset (XDS) ?<o:p></o:p></di=
v><div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; =
margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', s=
erif; ">Or at least over a couple of images (Mosflm)<o:p></o:p></div></div>=
<div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; ma=
rgin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', ser=
if; "><o:p> </o:p></div></div><div><div style=3D"margin-top: 0in; marg=
in-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; =
font-family: 'Times New Roman', serif; ">J=FCrgen<o:p></o:p></div></div><di=
v><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margi=
n-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;=
"><o:p> </o:p></div><div><div><div style=3D"margin-top: 0in; margin-r=
ight: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font=
-family: 'Times New Roman', serif; ">On May 7, 2012, at 12:50 PM, Kelly Dau=
ghtry wrote:<o:p></o:p></div></div><div style=3D"margin-top: 0in; margin-ri=
ght: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-=
family: 'Times New Roman', serif; "><br><br><o:p></o:p></div><div><div styl=
e=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0=
.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; ">I agree.=
<br><br>The fact that two "crystals forms" appear, with related unit cells:=
<br>P422 data:<br> unit_cell =3D 191.6999969 1=
91.6999969 311.0539856 90 90 90<br> space_grou=
p =3D "P 4 2 2"<br>I422 data:<br>unit_cell =3D 191.783 191.783 103.775 90 9=
0 90<br> space_group =3D "I 4 2 2"<br><br>indi=
cated to me you have mis-indexed the P422 data. It is likely I422.<br>Kelly=
<br>*******************************************************<br>Kelly Daught=
ry, Ph.D.<br>Post-Doctoral Fellow, Raetz Lab<br>Biochemistry Department<br>=
Duke University<br>Alex H. Sands, Jr. Building<br>303 Research Drive<br>RM =
250<br>Durham, NC 27710<br>P: 919-684-5178<br>*****************************=
**************************<br><br><br>On Mon, May 7, 2012 at 12:18 PM, Nath=
aniel Echols <<a href=3D"mailto:nechols at lbl.gov" style=3D"color: blue; t=
ext-decoration: underline; ">nechols at lbl.gov</a>> wrote:<br><br><o:p></o=
:p></div><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in=
; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman',=
serif; ">On Mon, May 7, 2012 at 8:46 AM, Kelly Daughtry <<a href=3D"mai=
lto:kddaught at bu.edu" style=3D"color: blue; text-decoration: underline; ">kd=
daught at bu.edu</a>> wrote:<o:p></o:p></div><blockquote style=3D"margin-to=
p: 5pt; margin-bottom: 5pt; "><blockquote style=3D"margin-top: 5pt; margin-=
bottom: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-lef=
t: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New R=
oman', serif; ">Looking at the P422 data, it look like you have pseudo tran=
slational symmetry.<o:p></o:p></div></blockquote></blockquote><blockquote s=
tyle=3D"margin-top: 5pt; margin-bottom: 5pt; "><blockquote style=3D"margin-=
top: 5pt; margin-bottom: 5pt; "><div style=3D"margin-top: 0in; margin-right=
: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-fam=
ily: 'Times New Roman', serif; ">Did you try processing this data as I422?<=
o:p></o:p></div></blockquote></blockquote><blockquote style=3D"margin-top: =
5pt; margin-bottom: 5pt; "><blockquote style=3D"margin-top: 5pt; margin-bot=
tom: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: =
0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roma=
n', serif; "><o:p> </o:p></div></blockquote></blockquote><blockquote s=
tyle=3D"margin-top: 5pt; margin-bottom: 5pt; "><blockquote style=3D"margin-=
top: 5pt; margin-bottom: 5pt; "><div style=3D"margin-top: 0in; margin-right=
: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-fam=
ily: 'Times New Roman', serif; ">From the P422_xtriage.log:<o:p></o:p></div=
></blockquote></blockquote><blockquote style=3D"margin-top: 5pt; margin-bot=
tom: 5pt; "><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><di=
v style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bot=
tom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><o=
:p> </o:p></div></blockquote></blockquote><blockquote style=3D"margin-=
top: 5pt; margin-bottom: 5pt; "><blockquote style=3D"margin-top: 5pt; margi=
n-bottom: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-l=
eft: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New=
Roman', serif; ">The full list of Patterson peaks is:<o:p></o:p></div></bl=
ockquote></blockquote><blockquote style=3D"margin-top: 5pt; margin-bottom: =
5pt; "><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><div sty=
le=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: =
0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><o:p>&n=
bsp;</o:p></div></blockquote></blockquote><blockquote style=3D"margin-top: =
5pt; margin-bottom: 5pt; "><blockquote style=3D"margin-top: 5pt; margin-bot=
tom: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: =
0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roma=
n', serif; "> x y z &n=
bsp; height p-value(height)<o:p></o:p></d=
iv></blockquote></blockquote><blockquote style=3D"margin-top: 5pt; margin-b=
ottom: 5pt; "><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><=
div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-b=
ottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; ">=
( 0.500, 0.500, 0.165 ) : 78.635 (6.634e-07)<o:p></o:p></div>=
</blockquote></blockquote><blockquote style=3D"margin-top: 5pt; margin-bott=
om: 5pt; "><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><div=
style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bott=
om: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; ">( 0=
.000, 0.000, 0.330 ) : 56.292 (2.795e-05)<o:p></o:p></div></b=
lockquote></blockquote><blockquote style=3D"margin-top: 5pt; margin-bottom:=
5pt; "><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><div st=
yle=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom:=
0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; ">( 0.50=
0, 0.500, 0.497 ) : 30.920 (1.207e-03)<o:p></o:p></div></bloc=
kquote></blockquote><blockquote style=3D"margin-top: 5pt; margin-bottom: 5p=
t; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; ma=
rgin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', ser=
if; "><o:p> </o:p></div></blockquote><blockquote style=3D"margin-top: =
5pt; margin-bottom: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in=
; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: =
'Times New Roman', serif; ">One word of caution: an exceptionally high off-=
origin peak can mean<o:p></o:p></div></blockquote><blockquote style=3D"marg=
in-top: 5pt; margin-bottom: 5pt; "><div style=3D"margin-top: 0in; margin-ri=
ght: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-=
family: 'Times New Roman', serif; ">that the unit cell was measured too lar=
ge, and you've integrated extra<o:p></o:p></div></blockquote><blockquote st=
yle=3D"margin-top: 5pt; margin-bottom: 5pt; "><div style=3D"margin-top: 0in=
; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: =
12pt; font-family: 'Times New Roman', serif; ">reflections that are really =
non-existent. (I'm not sure what the<o:p></o:p></div></blockquote><bl=
ockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><div style=3D"marg=
in-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; =
font-size: 12pt; font-family: 'Times New Roman', serif; ">threshold for thi=
s is, but 80% seems pretty large.) Splitting and<o:p></o:p></div></bl=
ockquote><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><div s=
tyle=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bottom=
: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; ">vario=
us indexing artifacts can sometimes lead to this. I'd recommend<o:p><=
/o:p></div></blockquote><blockquote style=3D"margin-top: 5pt; margin-bottom=
: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in=
; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman',=
serif; ">running labelit.index on the images and seeing what it thinks the=
<o:p></o:p></div></blockquote><blockquote style=3D"margin-top: 5pt; margin-=
bottom: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-lef=
t: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New R=
oman', serif; ">lattice should be.<o:p></o:p></div></blockquote><blockquote=
style=3D"margin-top: 5pt; margin-bottom: 5pt; "><div style=3D"margin-top: =
0in; margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-siz=
e: 12pt; font-family: 'Times New Roman', serif; "><o:p> </o:p></div></=
blockquote><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt; "><div=
style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bott=
om: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; ">-Na=
t<o:p></o:p></div></blockquote><blockquote style=3D"margin-top: 5pt; margin=
-bottom: 5pt; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-le=
ft: 0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New =
Roman', serif; ">_______________________________________________<o:p></o:p>=
</div></blockquote><blockquote style=3D"margin-top: 5pt; margin-bottom: 5pt=
; "><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; mar=
gin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', seri=
f; ">phenixbb mailing list<o:p></o:p></div></blockquote><blockquote style=
=3D"margin-top: 5pt; margin-bottom: 5pt; "><div style=3D"margin-top: 0in; m=
argin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12p=
t; font-family: 'Times New Roman', serif; "><a href=3D"mailto:phenixbb at phen=
ix-online.org" style=3D"color: blue; text-decoration: underline; ">phenixbb=
@phenix-online.org</a><o:p></o:p></div></blockquote><blockquote style=3D"ma=
rgin-top: 5pt; margin-bottom: 5pt; "><div style=3D"margin-top: 0in; margin-=
right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12pt; fon=
t-family: 'Times New Roman', serif; "><a href=3D"http://phenix-online.org/m=
ailman/listinfo/phenixbb" style=3D"color: blue; text-decoration: underline;=
">http://phenix-online.org/mailman/listinfo/phenixbb</a><o:p></o:p></div><=
/blockquote><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: =
0in; margin-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roma=
n', serif; ">_______________________________________________<br>phenixbb ma=
iling list<br><a href=3D"mailto:phenixbb at phenix-online.org" style=3D"color:=
blue; text-decoration: underline; ">phenixbb at phenix-online.org</a><br><a h=
ref=3D"http://phenix-online.org/mailman/listinfo/phenixbb" style=3D"color: =
blue; text-decoration: underline; ">http://phenix-online.org/mailman/listin=
fo/phenixbb</a><o:p></o:p></div></div></div><div style=3D"margin-top: 0in; =
margin-right: 0in; margin-left: 0in; margin-bottom: 0.0001pt; font-size: 12=
pt; font-family: 'Times New Roman', serif; "><o:p> </o:p></div><div><d=
iv style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin-bo=
ttom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; "><=
span class=3D"apple-style-span"><span style=3D"font-size: 13.5pt; font-fami=
ly: Palatino, serif; color: black; ">......................</span></span><s=
pan style=3D"font-size: 13.5pt; font-family: Palatino, serif; color: black;=
"><br><span class=3D"apple-style-span">J=FCrgen Bosch</span><br><span clas=
s=3D"apple-style-span">Johns Hopkins University</span><br><span class=3D"ap=
ple-style-span">Bloomberg School of Public Health</span><br><span class=3D"=
apple-style-span">Department of Biochemistry & Molecular Biology</span>=
<br><span class=3D"apple-style-span">Johns Hopkins Malaria Research Institu=
te</span><br><span class=3D"apple-style-span">615 North Wolfe Street, W8708=
</span><br><span class=3D"apple-style-span">Baltimore, MD 21205</span><br><=
span class=3D"apple-style-span">Office: +1-410-614-4742</span><br><span cla=
ss=3D"apple-style-span">Lab: +1-410-614-4894</span><br>=
<span class=3D"apple-style-span">Fax: +1-410-955-2926</=
span><br><span class=3D"apple-style-span"><a href=3D"http://web.mac.com/bos=
ch_lab/" style=3D"color: blue; text-decoration: underline; ">http://web.mac=
.com/bosch_lab/</a></span><br><br><br><br><br></span><o:p></o:p></div></div=
><div style=3D"margin-top: 0in; margin-right: 0in; margin-left: 0in; margin=
-bottom: 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif; =
"><o:p> </o:p></div></div></div><span><xtriage_I4.log></span>___=
____________________________________________<br>phenixbb mailing list<br><a=
href=3D"mailto:phenixbb at phenix-online.org" style=3D"color: blue; text-deco=
ration: underline; ">phenixbb at phenix-online.org</a><br><a href=3D"http://ph=
enix-online.org/mailman/listinfo/phenixbb" style=3D"color: blue; text-decor=
ation: underline; ">http://phenix-online.org/mailman/listinfo/phenixbb</a><=
br></div></span></blockquote></div><br><div apple-content-edited=3D"true">
<span class=3D"Apple-style-span" style=3D"border-collapse: separate; color:=
rgb(0, 0, 0); font-family: Palatino; font-style: normal; font-variant: nor=
mal; font-weight: normal; letter-spacing: normal; line-height: normal; orph=
ans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; w=
hite-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal=
-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decoratio=
ns-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-wid=
th: 0px; font-size: medium; ">......................<br>J=FCrgen Bosch<br>J=
ohns Hopkins University<br>Bloomberg School of Public Health<br>Department =
of Biochemistry & Molecular Biology<br>Johns Hopkins Malaria Research I=
nstitute<br>615 North Wolfe Street, W8708<br>Baltimore, MD 21205<br>Office:=
+1-410-614-4742<br>Lab: +1-410-614-4894<br>Fax: =
+1-410-955-2926<br><a href=3D"http://web.mac.com/bosch_lab/">=
http://web.mac.com/bosch_lab/</a><br><br><br><br></span>
</div>
<br></div></body></html>=
--_000_DD5692AE74C54906B8497CF9DD651ED8jhsphedu_--
More information about the phenixbb
mailing list