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Research Methods & Comms. 
y.wurm@qmul.ac.uk 
http://yannick.poulet.org
Writing 
• an essay! 
• a cover letter! 
• a reference letter! 
• (a “new scientist article”)! 
• a dissertation! 
• (an abstract)
QMUL marking scheme Marking Criteria and Mark Scheme for Essay-style Questions 
Levels 5 - 6 Level 6 
All Levels 
(Desirable in other years) 
Evidence of Comprehension Breadth and Depth of Knowledge Irrelevant Material and Errors Synthesis & Balance Originality & Innovation 
A+ Outstanding. Deep insight 
Outstanding. As much as could be 
expected 
Absent or minimal Evidence of critical analysis Original ideas and insight 
Clear understanding. Shrewd and 
appropriate 
Extensive. Almost as much as could be 
expected 
Minimal or absent Astute selection and juxtaposition Some evidence of creative A- Tending to description rather than 
interpretation 
Extensive Minimal Appropriate selection and combination Some 
A-- Sufficient to marshal a well-organised, 
direct response 
Most key points but not extensive 
Perhaps some minor errors and tangential 
material 
Inappropriate balance, partial synthesis Limited 
Sufficient to marshal an organised, direct 
response 
Not all key points but comprehensive and 
accurate 
Some minor errors and tangential material Inappropriate balance, partial synthesis Limited 
Not a direct response but sufficient for a 
logical presentation. 
Several omissions but some key points Some errors, tangential material Minimal Minimal 
D,E Poor comprehension, muddled 
organisation 
Major omissions. No key points. A few 
basic facts 
Major factual errors. Frequently irrelevant None None 
F+ Almost none One or two very minor points correct Extensively irrelevant or wrong None None 
None 
One or two very minor points just about 
correct 
Extensively irrelevant or wrong None None 
F- None No evidence of being better if longer Almost all irrelevant or wrong None None 
Nothing written Nothing written Nothing written None None 
Notes: 
x In order to qualify for an "A-grade" the work must meet most of the indicated criteria. 
x Grade to % conversion: A+ = 100; A = 92; A- = 83; A-- = 74; B+ = 68; B = 65; B- = 63; C+ = 58; C = 55; C- = 53; D+ = 49; D = 48; D- = 47; E+ = 44; E = 43; E- = 42; F++ = 39; F+ = 37; F = 27; F- = 17; 0 = 0
Important for all: Structure 
Clear overall structure?! 
Separate intro! 
starts from general points.! 
announces the structure (paragraphs or major 
sections).! 
One paragraph per idea/point.! 
Clear structure within each paragraph. ! 
If includes a list: “three lines of evidence suggest 
that X. First, ...., Second, ... Finally....”! 
Clarity of each sentence.! 
No unnecessary words!! 
Try to make smooth transitions
More writing tips. 
• No ping-ponging!! 
• Consider carefully: what is boring? what is sexy? what is 
necessary? what can be simplified? ! 
• ELIMINATE unnecessary ideas. ! 
• Eliminate unnecessary words: shorter is better! 
• “We have performed X” -- “We X-ed”! 
• Put MS Word in “strict grammar” mode.! 
• Eliminate jargon. ! 
• write for the “general smart scientists” with little domain 
specific knowledge.
© Alex Wild  others
Atta leaf-cutter ants 
© National Geographic
Atta leaf-cutter ants 
© National Geographic
Atta leaf-cutter ants 
© National Geographic
Oecophylla Weaver ants 
© ameisenforum.de
© ameisenforum.de 
Fourmis tisserandes
© ameisenforum.de 
Oecophylla Weaver ants
© wynnie@flickr © forestryimages.org
Tofilski et al 2008 
Forelius pusillus
Forelius pusillus hides the nest entrance at night 
Tofilski et al 2008
Forelius pusillus hides the nest entrance at night 
Tofilski et al 2008
Forelius pusillus hides the nest entrance at night 
Tofilski et al 2008
Forelius pusillus hides the nest entrance at night 
Tofilski et al 2008
Forelius pusillus hides the nest entrance at night 
Avant 
Workers staying outside die 
« preventive self-sacrifice » 
Tofilski et al 2008
Dorylus driver ants: ants with no home 
© BBC
Animal biomass (Brazilian rainforest) 
Mammals 
Birds 
Reptiles 
Other insects Amphibians 
from Fittkau  Klinge 1973 
! 
Earthworms 
! 
! 
Spiders 
Soil fauna excluding 
earthworms, 
ants  termites 
Ants  termites
We use modern technologies to 
understand insect societies.! 
• evolution of social behaviour! 
• molecules involved in social behaviour! 
• consequences of environmental change
More career stuff 
• Internships?! 
•What does PhD mean?! 
• Basic CV rules
Consultation TODAY! 
11a.m. to 2p.m.! 
Library Square
Consultation TODAY! 
11a.m. to 2p.m.! 
Library Square
Big data is invading biology
This changes 
454! everything. 
Illumina! 
Solid... 
Any lab can 
sequence 
anything!
Big data is invading biology 
• Genomics! 
• Biodiversity assessments! 
• Stool microbiome sequencing! 
• Personalized medicine! 
• Cancer genomics! 
• Sensor networks - e.g tracking microclimates, recording sounds! 
• Aerial surveys (Drones) - e.g. crop productivity; rainforest cover! 
• Camera traps
Learning to deal with big data takes time 
• New Master’s Programs @ QM: ! 
• Bioinformatics (for biologists)! 
• Ecological  Evolutionary Genomics (or Biodiversity Informatics)! 
• Our 8 hours of practicals.
Practicals 
• Aim: get relevant data handling skills! 
• Doing things by hand: ! 
• impossible? ! 
• slow, ! 
• error-prone, ! 
• Automate!! 
• Basic programming! 
• in R! 
• no stats!
Practicals: contents 
• Groups - ok?! 
• First 3h practical! 
• data accessing/subsetting! 
• search/replace! 
• regular expressions 
• Second 3h practical! 
• functions 
• loops! 
• Third session: ! 
Text search on steroids 
Reusable pieces of work 
Repeating the same thing many times 
• 1.5h practical (integrating  revising all skills)! 
• 1.5h exam
http://tryr.codeschool.com 
chapters 1 to 6
• creating a vector 
• give me a vector containing numbers from 5 to 11 (3 variants) 
 myvector - 5:11 
 myvector - seq(from=5, to=11, by=1) 
 myvector - c(5, 6, 7, 8, 9, 10, 11) 
 myvector 
[1] 5 6 7 8 9 10 11 
• accessing a subset 
• of a vector 
 bigvector - 150:100 
 bigvector 
[1] 150 149 148 147 146 145 144 143 142 141 140 139 138 137 136 135 [20] 131 130 129 128 127 126 125 124 123 122 121 120 119 118 117 116 [39] 112 111 110 109 108 107 106 105 104 103 102 101 100 
 mysubset - bigvector[myvector] 
 mysubset 
[1] 146 145 144 143 142 141 140 
! 
 subset(bigvector, bigvector  120) 
[1] 150 149 148 147 146 145 144 143 142 141 140 139 138 137 136 135 [20] 131 130 129 128 127 126 125 124 123 122 121
Regular expressions (regex): ! 
Text search on steroids.
Regular expressions (regex): ! 
Text search on steroids. 
Regular expression Finds 
David David 
Dav(e|(id)) David, Dave 
Dav(e|(id)|(ide)|o) David, Dave, Davide, Davo 
At{1,2}enborough Attenborough, 
Atenborough 
Atte[nm]borough Attenborough, 
Attemborough 
At{1,2}[ei][nm]bo{0,1}ro((ugh)|w){0,1} 
Atimbro, 
attenbrough,! 
ateinborow 
Easy counting, replacing all with “Sir David Attenborough”
Regex Special symbols 
Regular expression Finds Example 
[aeiou] any single vowel “e” 
[aeiou]* between 0 and infinity 
vowels vowels, e.g.’ “eeooouuu 
[aeoiu]{1,3} between 1 and 3 vowels “oui”! 
! 
a|i one of the 2 characters “ 
((win)|(fail)) one of the two 
words in () fail
More Regex Special symbols 
Synonymous with 
[:digit:] [0-9] 
[A-z] [A-z], ie [A-Za-z] 
s whitespace 
. any single character 
.+ one to many of anything 
b* between 0 and infinity letter ‘b’ 
[^abc] any character other than a, b or c. 
( ( 
[:punct:] any of these: !  # $ %  ' ( ) * + , - . / 
: ;  =  ? @ [  ] ^ _ ` { | 
• Google “Regular expression cheat sheet”! 
• ?regexp
Functions
Functions 
• R has many. e.g.: plot(), t.test()! 
• Making your own: 
tree_age_estimate - function(diameter, species) { 
[...do the magic... maybe something like: 
growth.rate - growth.rates[ species ] 
age.estimate - diameter / growth.rate 
...] 
! 
return(age.estimate) 
} 
 tree_age_estimate(25, “White Oak”) 
+ 66 
 tree_age_estimate(60, “Carya ovata”) 
+ 190
Loops
“for” 
Loop 
 possible_colours - c('blue', 'cyan', 'sky-blue', 'navy blue', 
'steel blue', 'royal blue', 'slate blue', 'light blue', 'dark 
blue', 'prussian blue', 'indigo', 'baby blue', 'electric blue') 
! 
 possible_colours 
[1] blue cyan sky-blue navy blue 
[5] steel blue royal blue slate blue light blue 
[9] dark blue prussian blue indigo baby blue 
[13] electric blue 
! 
 for (colour in possible_colours) { 
+ print(paste(The sky is oh so, so, colour)) 
+ } 
! 
[1] The sky is so, oh so blue 
[1] The sky is so, oh so cyan 
[1] The sky is so, oh so sky-blue 
[1] The sky is so, oh so navy blue 
[1] The sky is so, oh so steel blue 
[1] The sky is so, oh so royal blue 
[1] The sky is so, oh so slate blue 
[1] The sky is so, oh so light blue 
[1] The sky is so, oh so dark blue 
[1] The sky is so, oh so prussian blue 
[1] The sky is so, oh so indigo 
[1] The sky is so, oh so baby blue 
[1] The sky is so, oh so electric blue
Test
Jasmin Zohren Maïté Guignard Kim Warren 
Bruno 
Vieira 
Rodrigo 
Pracana 
Leandro 
Santiago 
James 
Borrell
Reproducible Research,! 
Sustainable Software! 
 Scientific Computing
Why care?
Aquaculture in 
Offshore Zones 
LETTERS I BOOKS I POLICY FORUM I EDUCATION FORUM I PERSPECTIVES 
operations that reveal little, if any, negative 
impact on the environment or local ecosys-tems 
(2, 3). Naylor criticizes the National 
industry governed by regulations with a rational 
basis in the ecology of the oceans and the eco-nomic 
realities of the marketplace. 
1878 
in the classroom 
1880 1882 
perspectives 
LETTERS 
edited by Etta Kavanagh 
Retraction 
WE WISH TO RETRACT OUR RESEARCH ARTICLE “STRUCTURE OF 
MsbA from E. coli: A homolog of the multidrug resistance ATP bind-ing 
cassette (ABC) transporters” and both of our Reports “Structure of 
the ABC transporter MsbA in complex with ADP•vanadate and 
lipopolysaccharide” and “X-ray structure of the EmrE multidrug trans-porter 
in complex with a substrate” (1–3). 
The recently reported structure of Sav1866 (4) indicated that our 
MsbA structures (1, 2, 5) were incorrect in both the hand of the struc-ture 
and the topology. Thus, our biological interpretations based on 
these inverted models for MsbA are invalid. 
An in-house data reduction program introduced a change in sign for 
anomalous differences. This program, which was not part of a conven-tional 
data processing package, converted the anomalous pairs (I+ and 
I-) to (F- and F+), thereby introducing a sign change. As the diffrac-tion 
data collected for each set of MsbA crystals and for the EmrE 
crystals were processed with the same program, the structures reported 
in (1–3, 5, 6) had the wrong hand. 
The error in the topology of the original MsbA structure was a con-sequence 
of the low resolution of the data as well as breaks in the elec-tron 
density for the connecting loop regions. Unfortunately, the use of 
the multicopy refinement procedure still allowed us to obtain reason-able 
refinement values for the wrong structures. 
The Protein Data Bank (PDB) files 1JSQ, 1PF4, and 1Z2R for 
MsbA and 1S7B and 2F2M for EmrE have been moved to the archive 
of obsolete PDB entries. The MsbA and EmrE structures will be 
recalculated from the original data using the proper sign for the anom-alous 
differences, and the new Ca coordinates and structure factors 
will be deposited. 
We very sincerely regret the confusion that these papers have 
caused and, in particular, subsequent research efforts that were unpro-ductive 
as a result of our original findings. 
GEOFFREY CHANG, CHRISTOPHER B. ROTH, 
CHRISTOPHER L. REYES, OWEN PORNILLOS, 
YEN-JU CHEN, ANDY P. CHEN 
Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA. 
References 
1. G. Chang, C. B. Roth, Science 293, 1793 (2001). 
2. C. L. Reyes, G. Chang, Science 308, 1028 (2005). 
3. O. Pornillos, Y.-J. Chen, A. P. Chen, G. Chang, Science 310, 1950 (2005). 
4. R. J. Dawson, K. P. Locher, Nature 443, 180 (2006). 
5. G. Chang, J. Mol. Biol. 330, 419 (2003). 
6. C. Ma, G. Chang, Proc. Natl. Acad. Sci. U.S.A. 101, 2852 (2004). 
Downloaded from www.sciencemag.org on September 24, 2014
Some sources of inspiration
Take notes in Markdown “compile”! 
to html, pdf,
knitr (sweave)Analyzing  Reporting in a single file. 
analysis.Rmd 
A minimal R Markdown example 
I know the value of pi is 3.1416, and 2 times pi is 6.2832. To compile library(knitr); knit(minimal.Rmd) 
A paragraph here. A code chunk below: 
1+1 
## [1] 2 
### in R: 
library(knitr) 
knit(“analysis.Rmd”) 
# -- creates analysis.md 
### in shell: 
pandoc analysis.md -o analysis.pdf 
# -- creates MyFile.pdf 
.4-.7+.3 # what? it is not zero! 
## [1] 5.551e-17 
Graphics work too 
library(ggplot2) 
qplot(speed, dist, data = cars) + geom_smooth() 
● ● 
● 
● 
● 
● 
● ● ● 
● 
● 
● ● ● ● 
● 
● ● 
● 
● 
● 
● 
● 
● 
● ● 
● ● 
● 
● ● 
● ● 
● 
● 
● 
● 
● 
● ● ● ● 
● 
● 
120 
80 
40 
0 
5 10 15 20 speed 
dist 
Figure 1: A scatterplot of cars

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2014-9-24-SBC361-ResearchMethComm

  • 1. Research Methods & Comms. y.wurm@qmul.ac.uk http://yannick.poulet.org
  • 2. Writing • an essay! • a cover letter! • a reference letter! • (a “new scientist article”)! • a dissertation! • (an abstract)
  • 3. QMUL marking scheme Marking Criteria and Mark Scheme for Essay-style Questions Levels 5 - 6 Level 6 All Levels (Desirable in other years) Evidence of Comprehension Breadth and Depth of Knowledge Irrelevant Material and Errors Synthesis & Balance Originality & Innovation A+ Outstanding. Deep insight Outstanding. As much as could be expected Absent or minimal Evidence of critical analysis Original ideas and insight Clear understanding. Shrewd and appropriate Extensive. Almost as much as could be expected Minimal or absent Astute selection and juxtaposition Some evidence of creative A- Tending to description rather than interpretation Extensive Minimal Appropriate selection and combination Some A-- Sufficient to marshal a well-organised, direct response Most key points but not extensive Perhaps some minor errors and tangential material Inappropriate balance, partial synthesis Limited Sufficient to marshal an organised, direct response Not all key points but comprehensive and accurate Some minor errors and tangential material Inappropriate balance, partial synthesis Limited Not a direct response but sufficient for a logical presentation. Several omissions but some key points Some errors, tangential material Minimal Minimal D,E Poor comprehension, muddled organisation Major omissions. No key points. A few basic facts Major factual errors. Frequently irrelevant None None F+ Almost none One or two very minor points correct Extensively irrelevant or wrong None None None One or two very minor points just about correct Extensively irrelevant or wrong None None F- None No evidence of being better if longer Almost all irrelevant or wrong None None Nothing written Nothing written Nothing written None None Notes: x In order to qualify for an "A-grade" the work must meet most of the indicated criteria. x Grade to % conversion: A+ = 100; A = 92; A- = 83; A-- = 74; B+ = 68; B = 65; B- = 63; C+ = 58; C = 55; C- = 53; D+ = 49; D = 48; D- = 47; E+ = 44; E = 43; E- = 42; F++ = 39; F+ = 37; F = 27; F- = 17; 0 = 0
  • 4. Important for all: Structure Clear overall structure?! Separate intro! starts from general points.! announces the structure (paragraphs or major sections).! One paragraph per idea/point.! Clear structure within each paragraph. ! If includes a list: “three lines of evidence suggest that X. First, ...., Second, ... Finally....”! Clarity of each sentence.! No unnecessary words!! Try to make smooth transitions
  • 5. More writing tips. • No ping-ponging!! • Consider carefully: what is boring? what is sexy? what is necessary? what can be simplified? ! • ELIMINATE unnecessary ideas. ! • Eliminate unnecessary words: shorter is better! • “We have performed X” -- “We X-ed”! • Put MS Word in “strict grammar” mode.! • Eliminate jargon. ! • write for the “general smart scientists” with little domain specific knowledge.
  • 6.
  • 7. © Alex Wild others
  • 8.
  • 9. Atta leaf-cutter ants © National Geographic
  • 10. Atta leaf-cutter ants © National Geographic
  • 11. Atta leaf-cutter ants © National Geographic
  • 12.
  • 13. Oecophylla Weaver ants © ameisenforum.de
  • 16. © wynnie@flickr © forestryimages.org
  • 17. Tofilski et al 2008 Forelius pusillus
  • 18. Forelius pusillus hides the nest entrance at night Tofilski et al 2008
  • 19. Forelius pusillus hides the nest entrance at night Tofilski et al 2008
  • 20. Forelius pusillus hides the nest entrance at night Tofilski et al 2008
  • 21. Forelius pusillus hides the nest entrance at night Tofilski et al 2008
  • 22. Forelius pusillus hides the nest entrance at night Avant Workers staying outside die « preventive self-sacrifice » Tofilski et al 2008
  • 23. Dorylus driver ants: ants with no home © BBC
  • 24. Animal biomass (Brazilian rainforest) Mammals Birds Reptiles Other insects Amphibians from Fittkau Klinge 1973 ! Earthworms ! ! Spiders Soil fauna excluding earthworms, ants termites Ants termites
  • 25. We use modern technologies to understand insect societies.! • evolution of social behaviour! • molecules involved in social behaviour! • consequences of environmental change
  • 26.
  • 27. More career stuff • Internships?! •What does PhD mean?! • Basic CV rules
  • 28.
  • 29. Consultation TODAY! 11a.m. to 2p.m.! Library Square
  • 30. Consultation TODAY! 11a.m. to 2p.m.! Library Square
  • 31. Big data is invading biology
  • 32. This changes 454! everything. Illumina! Solid... Any lab can sequence anything!
  • 33. Big data is invading biology • Genomics! • Biodiversity assessments! • Stool microbiome sequencing! • Personalized medicine! • Cancer genomics! • Sensor networks - e.g tracking microclimates, recording sounds! • Aerial surveys (Drones) - e.g. crop productivity; rainforest cover! • Camera traps
  • 34.
  • 35. Learning to deal with big data takes time • New Master’s Programs @ QM: ! • Bioinformatics (for biologists)! • Ecological Evolutionary Genomics (or Biodiversity Informatics)! • Our 8 hours of practicals.
  • 36.
  • 37. Practicals • Aim: get relevant data handling skills! • Doing things by hand: ! • impossible? ! • slow, ! • error-prone, ! • Automate!! • Basic programming! • in R! • no stats!
  • 38. Practicals: contents • Groups - ok?! • First 3h practical! • data accessing/subsetting! • search/replace! • regular expressions • Second 3h practical! • functions • loops! • Third session: ! Text search on steroids Reusable pieces of work Repeating the same thing many times • 1.5h practical (integrating revising all skills)! • 1.5h exam
  • 39.
  • 41. • creating a vector • give me a vector containing numbers from 5 to 11 (3 variants) myvector - 5:11 myvector - seq(from=5, to=11, by=1) myvector - c(5, 6, 7, 8, 9, 10, 11) myvector [1] 5 6 7 8 9 10 11 • accessing a subset • of a vector bigvector - 150:100 bigvector [1] 150 149 148 147 146 145 144 143 142 141 140 139 138 137 136 135 [20] 131 130 129 128 127 126 125 124 123 122 121 120 119 118 117 116 [39] 112 111 110 109 108 107 106 105 104 103 102 101 100 mysubset - bigvector[myvector] mysubset [1] 146 145 144 143 142 141 140 ! subset(bigvector, bigvector 120) [1] 150 149 148 147 146 145 144 143 142 141 140 139 138 137 136 135 [20] 131 130 129 128 127 126 125 124 123 122 121
  • 42.
  • 43.
  • 44.
  • 45. Regular expressions (regex): ! Text search on steroids.
  • 46. Regular expressions (regex): ! Text search on steroids. Regular expression Finds David David Dav(e|(id)) David, Dave Dav(e|(id)|(ide)|o) David, Dave, Davide, Davo At{1,2}enborough Attenborough, Atenborough Atte[nm]borough Attenborough, Attemborough At{1,2}[ei][nm]bo{0,1}ro((ugh)|w){0,1} Atimbro, attenbrough,! ateinborow Easy counting, replacing all with “Sir David Attenborough”
  • 47. Regex Special symbols Regular expression Finds Example [aeiou] any single vowel “e” [aeiou]* between 0 and infinity vowels vowels, e.g.’ “eeooouuu [aeoiu]{1,3} between 1 and 3 vowels “oui”! ! a|i one of the 2 characters “ ((win)|(fail)) one of the two words in () fail
  • 48. More Regex Special symbols Synonymous with [:digit:] [0-9] [A-z] [A-z], ie [A-Za-z] s whitespace . any single character .+ one to many of anything b* between 0 and infinity letter ‘b’ [^abc] any character other than a, b or c. ( ( [:punct:] any of these: ! # $ % ' ( ) * + , - . / : ; = ? @ [ ] ^ _ ` { | • Google “Regular expression cheat sheet”! • ?regexp
  • 49.
  • 51. Functions • R has many. e.g.: plot(), t.test()! • Making your own: tree_age_estimate - function(diameter, species) { [...do the magic... maybe something like: growth.rate - growth.rates[ species ] age.estimate - diameter / growth.rate ...] ! return(age.estimate) } tree_age_estimate(25, “White Oak”) + 66 tree_age_estimate(60, “Carya ovata”) + 190
  • 52. Loops
  • 53. “for” Loop possible_colours - c('blue', 'cyan', 'sky-blue', 'navy blue', 'steel blue', 'royal blue', 'slate blue', 'light blue', 'dark blue', 'prussian blue', 'indigo', 'baby blue', 'electric blue') ! possible_colours [1] blue cyan sky-blue navy blue [5] steel blue royal blue slate blue light blue [9] dark blue prussian blue indigo baby blue [13] electric blue ! for (colour in possible_colours) { + print(paste(The sky is oh so, so, colour)) + } ! [1] The sky is so, oh so blue [1] The sky is so, oh so cyan [1] The sky is so, oh so sky-blue [1] The sky is so, oh so navy blue [1] The sky is so, oh so steel blue [1] The sky is so, oh so royal blue [1] The sky is so, oh so slate blue [1] The sky is so, oh so light blue [1] The sky is so, oh so dark blue [1] The sky is so, oh so prussian blue [1] The sky is so, oh so indigo [1] The sky is so, oh so baby blue [1] The sky is so, oh so electric blue
  • 54. Test
  • 55.
  • 56.
  • 57. Jasmin Zohren Maïté Guignard Kim Warren Bruno Vieira Rodrigo Pracana Leandro Santiago James Borrell
  • 58. Reproducible Research,! Sustainable Software! Scientific Computing
  • 60.
  • 61.
  • 62. Aquaculture in Offshore Zones LETTERS I BOOKS I POLICY FORUM I EDUCATION FORUM I PERSPECTIVES operations that reveal little, if any, negative impact on the environment or local ecosys-tems (2, 3). Naylor criticizes the National industry governed by regulations with a rational basis in the ecology of the oceans and the eco-nomic realities of the marketplace. 1878 in the classroom 1880 1882 perspectives LETTERS edited by Etta Kavanagh Retraction WE WISH TO RETRACT OUR RESEARCH ARTICLE “STRUCTURE OF MsbA from E. coli: A homolog of the multidrug resistance ATP bind-ing cassette (ABC) transporters” and both of our Reports “Structure of the ABC transporter MsbA in complex with ADP•vanadate and lipopolysaccharide” and “X-ray structure of the EmrE multidrug trans-porter in complex with a substrate” (1–3). The recently reported structure of Sav1866 (4) indicated that our MsbA structures (1, 2, 5) were incorrect in both the hand of the struc-ture and the topology. Thus, our biological interpretations based on these inverted models for MsbA are invalid. An in-house data reduction program introduced a change in sign for anomalous differences. This program, which was not part of a conven-tional data processing package, converted the anomalous pairs (I+ and I-) to (F- and F+), thereby introducing a sign change. As the diffrac-tion data collected for each set of MsbA crystals and for the EmrE crystals were processed with the same program, the structures reported in (1–3, 5, 6) had the wrong hand. The error in the topology of the original MsbA structure was a con-sequence of the low resolution of the data as well as breaks in the elec-tron density for the connecting loop regions. Unfortunately, the use of the multicopy refinement procedure still allowed us to obtain reason-able refinement values for the wrong structures. The Protein Data Bank (PDB) files 1JSQ, 1PF4, and 1Z2R for MsbA and 1S7B and 2F2M for EmrE have been moved to the archive of obsolete PDB entries. The MsbA and EmrE structures will be recalculated from the original data using the proper sign for the anom-alous differences, and the new Ca coordinates and structure factors will be deposited. We very sincerely regret the confusion that these papers have caused and, in particular, subsequent research efforts that were unpro-ductive as a result of our original findings. GEOFFREY CHANG, CHRISTOPHER B. ROTH, CHRISTOPHER L. REYES, OWEN PORNILLOS, YEN-JU CHEN, ANDY P. CHEN Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA. References 1. G. Chang, C. B. Roth, Science 293, 1793 (2001). 2. C. L. Reyes, G. Chang, Science 308, 1028 (2005). 3. O. Pornillos, Y.-J. Chen, A. P. Chen, G. Chang, Science 310, 1950 (2005). 4. R. J. Dawson, K. P. Locher, Nature 443, 180 (2006). 5. G. Chang, J. Mol. Biol. 330, 419 (2003). 6. C. Ma, G. Chang, Proc. Natl. Acad. Sci. U.S.A. 101, 2852 (2004). Downloaded from www.sciencemag.org on September 24, 2014
  • 63. Some sources of inspiration
  • 64.
  • 65.
  • 66. Take notes in Markdown “compile”! to html, pdf,
  • 67. knitr (sweave)Analyzing Reporting in a single file. analysis.Rmd A minimal R Markdown example I know the value of pi is 3.1416, and 2 times pi is 6.2832. To compile library(knitr); knit(minimal.Rmd) A paragraph here. A code chunk below: 1+1 ## [1] 2 ### in R: library(knitr) knit(“analysis.Rmd”) # -- creates analysis.md ### in shell: pandoc analysis.md -o analysis.pdf # -- creates MyFile.pdf .4-.7+.3 # what? it is not zero! ## [1] 5.551e-17 Graphics work too library(ggplot2) qplot(speed, dist, data = cars) + geom_smooth() ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● 120 80 40 0 5 10 15 20 speed dist Figure 1: A scatterplot of cars