search for: nmr

I draw dotplot using the following code: sd.dotplot<-dotplot(data.47.nmr$om_sd ~ as.factor(data.47.nmr$position) |as.factor(data.47.nmr$pr), data = data.47.nmr,layout=c(1,1), xlab="Position", xlim=range(data.47.nmr$position),ylab="Sd", main="Changes of omega angle in different positions", scales = list(x = list(rot = 45))) However I get...

...96382, 0] nmbd/nmbd_logonnames.c:121(become_logon_server_success) become_logon_server_success: Samba is now a logon server for workgroup MRIRESEARCH on subnet 192.168.0.150 [2012/09/04 10:09:49.731244, 0] nmbd/nmbd_become_lmb.c:395(become_local_master_stage2) ***** Samba name server PDC-NMR is now a local master browser for workgroup MRIRESEARCH on subnet 172.21.21.35 ***** [2012/09/04 10:09:49.731468, 0] nmbd/nmbd_become_lmb.c:395(become_local_master_stage2) ***** Samba name server PDC-NMR is now a local master browser for workgroup MRIRESEARCH on subnet 192.168.0.150...

Hi, I was wondering if there is a direct approach for lining up 2-column matrices according to the values of the first column. An example and a brute-force approach is given below: x <- cbind(1:10, runif(10)) y <- cbind(5:14, runif(10)) z <- cbind((-4):5, runif(10)) xx <- seq( min(c(x[,1],y[,1],z[,1])), max(c(x[,1],y[,1],z[,1])), 1) w <- cbind(xx, matrix(rep(0, 3*length(xx)),

Hey all-- I'm brand new to R, and have just installed the ChemoSpec because I'd like to do PCA of NMR datasets. I was following along with the vignette and trying to load the sample data as follows... NMRTest <- loadObject("SrE.NMR.RData") ...and got the following error message: Error: could not find function "loadObject" I tried searching the above error message on the...

Dear all, I'd like to change a point pattern to a grid of cells and use one of the variables as the output. e.g. The point pattern is of a window of (500*500) and several features such as pH, SoilType etc. I like to divide it into a grid with cell size 5*5, and use the mean of the point values falling inside the cell as the output. Is there any package in R working with this? Thanks in

Hello, I have a large data matrix (68x13112), each row corresponding to one observation (patients) and each column corresponding to the variables (points within an NMR spectrum). I would like to carry out some kind of clustering on these data to see how many clusters are there. I have tried the function clara() from the package cluster. If I use the matrix as is, I can perform the clara analysis but when I call clusplot() I get this error: Error in princomp....

Dear friends - We have 25 rats, 14 of these subjected to partial removal of kidney tissue, 11 to sham operation, and then followed for 6 weeks. So far we have data on 26 urine metabolites measured by NMR 7 times during the observation. I have smoothed the measurements by b.splines in fda including a roughness penalty, and inspecting the mean curves for nephrectomized and sham animals indicate differences for several of the metabolites. Now the real idea is to use the NMR measurements to unders...

....conf file so that users of a W2K3 security group can access a single share on the instrument. If this is pedestrian to ask, please forgive me. W2K3 Security Group = [user.name1, user.name2, user.name3] <smb.conf> # Global parameters [global] workgroup = nsm netbios name = NMR server string = Varian NMR security = DOMAIN browseable = yes client code page = 437 encrypt passwords = Yes password server = nsm-dc10 username map = /usr/local/samba/private/smbusers log file = /usr/local/samba/var/log.%m a...

...ugin. Same number of frames on all files though (5001). Song is "River Runs Red" by Life of Agony (1:56) -------------------------- LAME --alt-preset standard -------------------------- Resulting ODG: -0.0204 Resulting DIX: 2.8016 BandwidthRef 21563.5762 BandwidthTest 18431.5977 NMR -16.5095 WinModDiff1 7.9611 ADB -0.0400 EHS 0.1783 AvgModDiff1 7.2748 AvgModDiff2 17.1026 NoiseLoud 0.1419 MFPD 1.0000 RDF 0.0010 Average bitrate: 218 kbps -------------------------- LAME --alt-preset standard --nspsytune...

...ge files that simply get appended to get the whole file recopied. Does anyone know of something that syncs an ext2/3 fs to another at the block level which result in less data transfer? -- --------------------------------------------------------------- Paul Raines email: raines@nmr.mgh.harvard.edu MGH/MIT/HMS Athinoula A. Martinos Center for Biomedical Imaging 149 (2301) 13th Street Charlestown, MA 02129 USA

Hi Folks... No code to troubleshoot here. I need some suggestions about the right terminology to use in further searching, and any suggestions about R pkgs that might be appropriate. I am in the planning stages of a project in which IR, NMR and other spectra (I'm a chemist) would be collected on various samples, and individual samples would be followed over time. The spectra will be feature rich/complex, so one can't see the changes by visual inspection. The spectra are basically 2D matrices: peaks as a function of frequenci...

.... -- =================================================================== Dr. Yuri A. Strelenko N.D.Zelinsky Institute of Organic Chemistry Leninsky prospect 47,119991 Moscow, Russia Tel : (7-095) 135 9094 Fax : (7-095) 135 5328 e-mail : strel@ioc.ac.ru www : http://nmr.ioc.ac.ru GPG-Key: http://nmr.ioc.ac.ru/Staff/StrelenkoYA/GnuPG/Strelenko.gpg ===================================================================

....9 (thus 3.0.3). On the other hand if I inquiry xm directly with "xm info" I get: xen_major : 3 xen_minor : 1 xen_extra : .2-92.1.18.el5 Cheers, N. -- ============================================== Nuno Ricardo Santos Loureiro da Silva Ferreira NMR Spectroscopy Research Group Bijvoet Center for Biomolecular Research Utrecht University Bloembergen gebouw Padualaan 8, 3584 CH Utrecht The Netherlands P: +31.(0)30.253 9932 F: +31.(0)30.253 2652 E: n.l.ferreira@uu.nl W: http://nmr.chem.uu.nl ============================================== ______...

...amba1" it seems to work okay getting passwords from samba1 and allowing clients to mount shares. Is there any advantage to using "security = domain" in this setting anyway? -- -------------------------------------------------------------- Paul Raines email: raines@nmr.mgh.harvard.edu MGH-NMR Center. tel:(617)-724-2369 149 (2301) 13th Street fax:(617)-726-7422 Charlestown, MA 02129 USA

.... -- =================================================================== Dr. Yuri A. Strelenko N.D.Zelinsky Institute of Organic Chemistry Leninsky prospect 47,119991 Moscow, Russia Tel : (7-095) 135 9094 Fax : (7-095) 135 5328 e-mail : strel@ioc.ac.ru www : http://nmr.ioc.ac.ru GPG-Key: http://nmr.ioc.ac.ru/Staff/StrelenkoYA/GnuPG/Strelenko.gpg ===================================================================

...0 smb_bcc=0 tree connect failed: ERRSRV - ERRerror (Non-specific error code.) Thanks in advance for any pointers. =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-= Rudi Nunlist Voice: (510) 642-6407 FAX: (510) 642-8369 University of California Email: nmrlab@purcell.cchem.berkeley.edu College of Chemistry NMR Facility Berkeley, CA 94720-1460 Personal email: rnunlist@purcell.cchem.berkeley.edu www.cchem.berkeley.edu/College/Facilities/nmr =-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=

...004 BLOCKS: (0):19431070, (1-2):19431076-19431077, (3):19431079, (4):19431130, (5):19431136, (6-11):24618332-24618337, (IND):24618338, (12-27):24618339-24618354 TOTAL: 29 debugfs: -- --------------------------------------------------------------- Paul Raines email: raines at nmr.mgh.harvard.edu MGH/MIT/HMS Athinoula A. Martinos Center for Biomedical Imaging 149 (2301) 13th Street Charlestown, MA 02129 USA

Hi there, I am a relative Linux newbie and due to my work I use ACD Labs 12.0. This is a free for academia NMR processing software available only for windows. I am running it through a Virtual XP machine but I wanted to see if it would run using Wine. The program installed fine, and when I started it for the first time everything was swell. At last I could run pretty much everything I need from Linux. I als...

Hello everybody! Started to install wine today and I have to say - Great work. Nevertheless I ran into some problems while trying to install Bruker Topspin 3.1 (Scientific NMR Analysis Tool). But unfortunately I cannot install it. I have seen that there is a topic about an old Topspin version but it didn't help me. As I am starting to get familiar with wine the chance is great that the problem might be minor and easy to fix. I am running wine 1.3.31 under Arch Linux...

...t panics in the exact same way. I tried again after adding virtio_blk into /etc/modprobe.conf as scsi_hostadapter and rerunning mkinitrd but it still fails. Any clues what I am missing? --------------------------------------------------------------- Paul Raines http://help.nmr.mgh.harvard.edu MGH/MIT/HMS Athinoula A. Martinos Center for Biomedical Imaging 149 (2301) 13th Street Charlestown, MA 02129 USA The information in this e-mail is intended only for the person to whom it is addressed. If you believe this e-mail was sent to you in error and the e-mail co...