similar to: Parsing a Simple Chemical Formula

Displaying 20 results from an estimated 2000 matches similar to: "Parsing a Simple Chemical Formula"

2011 Sep 02
2
Chemical Names in Data Frames
Greetings - I am working on some data that contain chemical names with air concentrations, and I am creating a data frame with date/time and each chemical having its own column. However, these are organic chemicals (e.g. 1-butene, 2,3,4-trimethylbenzene etc). The package I am going to be using the data with is openair, and many of the great functions require you to specify a column name which
2010 Apr 22
1
cell-based high-throughput chemical compound screens package?
Hi I'm looking for a package to perform quality control, normalization and analysis of high throughput cell-base chemical screens. I know that the cellHTS2 package provides this for siRNA screens. Does anybody know if something like what I'm looking for exists? Thank you! Gabriele Zoppoli, MD Ph.D. Fellow, Experimental and Clinical Oncology and Hematology, University of Genova,
2001 Nov 23
1
Changing strip widths in lattice plots
Hello R users, I'm using xyplot (lattice) to plot some data. Unfortunately, the text that goes into each strip is often too big to fit. For instance, one of the factors may be labelled "Satisfaction with waiting time" which is too wide to fit. If I use split.string() to wrap it onto two lines it is then too high to fit in the strip. I'd prefer to apply split.string on the
2010 Oct 07
1
bogus file times in samba 3.5.4
Hi, I am seeing some very dodgy behavior from samba where the files times displayed to the client seem to have no basis in reality. In the example below The file was created on Oct. 5th but samba is saying the file time was way back on Sep. 30th. [root at tungsten KOSRCFLM]# ls -l 1321-538.dpn -rw-rw-r-- 1 resin resin 387 Oct 5 15:49 1321-538.dpn [root at tungsten KOSRCFLM]# stat 1321-538.dpn
2002 Nov 06
5
"chemical" plot
Hi all, May be there is a plot which shows 3 variables in a triangle, their sum being constant. I have forgotten its name, and a search in the engine using "plot" did not help. Does anyone know of such a procedure in R or S? Thank you --christian Dr.sc.math.Christian W. Hoffmann Mathematics and Statistical Computing Landscape Dynamics and Spatial Development Swiss Federal Research
2008 Mar 30
2
Definition of "wrapper"?
I think I more or less understand what a ?wrapper? is, but I?d like to hear how more experienced R users define it, and especially I'd like to know if there is a formal definition. In my reading, it seems like there are a fairly wide range of meanings, but they are all conceptually similar. I've looked in a couple of the classic R texts, the extensions and developers' manuals, and R
2013 Jun 12
2
grDevices::convertColor XYZ space is it really xyY?
grDevices::convertColor has arguments 'from' and 'to' which can take on value 'XYZ'. Can someone confirm that 'XYZ' is the same as the CIE chromaticity coordinates that are also sometimes refered to as 'xyY' in the literature? Or are these the CIE tristimulus values? It looks to me like the first case is true, but I would appreciate hearing from one of
2009 Nov 16
4
Where are usages like "== 2L" documented?
Gurus: I keep seeing other people?s code that contain ideas like If (x == 2L) X[-1L] X - 1L I have some idea of what?s going on, but where is the use of concepts like ?2L? documented? Thanks, Bryan ************* Bryan Hanson Acting Chair Professor of Chemistry & Biochemistry DePauw University, Greencastle IN USA
2009 Sep 16
2
Teasing out logrank differences *between* groups using survdiff or something else?
R Folk: Please forgive what I'm sure is a fairly na?ve question; I hope it's clear. A colleague and I have been doing a really simple one-off survival analysis, but this is an area with which we are not very familiar, we just happen to have gathered some data that needs this type of analysis. We've done quite a bit of reading, but answers escape us, even though the question below
2009 Sep 28
6
SAS user now converting to R - Help with Transpose
I am just starting to code in R and need some help as I am used to doing this in SAS. I have a dataset that looks like this: Chemical Well1 Well2 Well3 Well4 BOD 13.2 14.2 15.5 14.2 O2 7.8 2.6 3.5 2.4 TURB 10.2 14.6 18.5 17.3 and so on with more chemicals.... I would like to transpose my data so that it looks like this: Chemical WellID Value BOD Well1 13.2 BOD Well2 14.2 BOD Well3 15.5 BOD
2010 Mar 06
3
scientific (statistical) foundation for Y-RANDOMIZATION in regression analysis
Dear all, I am a statistician doing research in QSAR, building regression models where the dependent variable is a numerical expression of some chemical activity and input variables are chemical descriptors, e.g. molecular weight, number of carbon atoms, etc. I am building regression models and I am confronted with a widely a technique called Y-RANDOMIZATION for which I have difficulties in
2013 Oct 18
1
crr question‏ in library(cmprsk)
Hi all I do not understand why I am getting the following error message. Can anybody help me with this? Thanks in advance. install.packages("cmprsk") library(cmprsk) result1 <-crr(ftime, fstatus, cov1, failcode=1, cencode=0 ) one.pout1 = predict(result1,cov1,X=cbind(1,one.z1,one.z2)) predict.crr(result1,cov1,X=cbind(1,one.z1,one.z2)) Error: could not find function
2008 Jul 21
3
Lattice Version of grconvertX or variant on panel.text?
Still playing with Lattice... I want to use panel.text(x, y etc) but with x and y in plot coordinates (0,1), not user coordinates. I think if I had this problem with traditional graphics, I could use grconvertX to make the change. I did come across convertX {grid} but this doesn't seem to be what I need. Is there a function like grconvertX in Lattice, or is there a flag or some other
2010 Nov 29
3
Replacing several rows of a matrix at once
Hello Folks. This must be a silly question with a (not) obvious (to me) answer. Consider this: tmp <- matrix(1:200, nrow = 20) vec <- 300:309 tmp[9,] <- vec # replacing one row works fine p <- c(3, 11, 17) tmp[p,] <- vec # replacing multple rows pastes the values down a column and recycles vec. What I want to do is replace multiple rows simultaneously at once. I suppose I can
2015 Feb 18
3
Color Coding in R-devel/NEWS
On this feed, which I think is the place we should monitor upcoming changes: http://developer.r-project.org/blosxom.cgi/R-devel/NEWS What is the significance of the green and pink highlighting? Thanks, Bryan
2006 Mar 27
9
mdadm and smtp yum update issue
greetings i have a newer centos 4.2 server using qmail for smtp the /etc/yum.conf has this in it exclude=spamassassin exim postfix sendmail so when i do a yum update to go to 4.3 i get this --> Running transaction check --> Processing Dependency: smtpdaemon for package: mdadm --> Finished Dependency Resolution Error: Missing Dependency: smtpdaemon is needed by package mdadm how
2004 Jul 22
2
Standard error of a sum
Folks, This is so simple is driving me crazy. It's not really an R question is more an Statistics question. I applied a chemical in 3 different events during a growing season. I took 3 samples in each event to estimate mean applied chemical. Thus, I can easily estimate means and st.err by event. I can then estimate the total chemical applied for the whole season by adding the 3 means
2005 Aug 03
3
3Ware Escalade 9500S mature enough yet for CentOS?
greetings, the subject says it all right? ;-> naw...... is the 3ware Escalade 9500S series mature enough yet for CentOS? - rh -- Robert Hanson Abba Communications http://www.abbacomm.net
2008 Jul 09
4
Auto Postback in Ruby On Rails
in some other language have a concept e.i "auto postback" So, in Ruby on rails is there any such option e.i "auto postback" or same as "auto postback" basically what i want ot do is that i have 2 select box One for "Industry" and other for "Chemical" 1st we show all the industry in "Industry" select box. if we select any 1 industry
2010 Mar 14
2
Why doesn't vec[-real.number] give an error or warning? Kids do the darndest things!
Hi all... My students were conflating grepping for a value in a vector to get the index, and then removing it with [-index], for instance like this: set.seed(17) v <- rnorm(20) s <- v[-1.18] They were trying to remove the 12th value in v, which is -1.18 or so. But the result is, as documented in ?Extract, to coerce 1.18 to the next lowest integer, and remove the 1st value of v, not the