Hi Gauthier,

I briefly tested your new release and it works fine for me, without any effort 
spent on configuration.
I think now would be a good time to replace the JRI interface with RServe in 
the trunk.
My suggestion would be to create a new module (implementing MZmineModule) that 
would provide the R-related services to other modules.
This module can also start RServe during MZmine startup.
The R_HOME settings could be moved to the mzmine Preferences dialog (instead of 
the startMZmine script), with auto-detection by default.
Eventually, we can change the existing modules that use R to take advantage of 
this new module, and finally we can remove the JRI interface.

Please update your sources before committing any changes to the trunk, as there 
has been lots of changes lately.

Cheers,

Tomas

PS: I have not had the time to really test Renjin, but I think you are right 
that having the full power of R is an advantage for future development, so 
RServe might be better option in that sense


On Dec 9, 2014, at 11:53, Gauthier Boaglio 
<gauthier.boag...@gmail.com<mailto:gauthier.boag...@gmail.com>> wrote:

Hi all,

As promised, I released a first quite advanced (burn proof enough, just
hopping for now) for an 'Rserve wrapper'. Keeping it handy and with good
performances under Windows gave me quite a hard time, but I hope this
first attempt is a minimum satisfying. You'll tell me...

Rserve impl. change log:

-----------------------

[Still limited to the 'BaselineCorrectionModule' area - Backward compatibility 
with 'JRI' preserved]

* 'R_HOME' detection: If not found automatically, R_HOME must be set (from 
startMZmine script).

* Dedicated exception handling (R, Rserve or required package not found, mostly 
via the 'RSessionWrapperException').

* Fixed some windows specifics (multi-instance open(), close(), cancel(), 
bruteCancel()...).

* Cleaned console logging and GUI errors feedback.

* Cleanup everything related to 'Rserve' on MZmine exit.

* Cleaned up source code and comments.

* Removed completely RCaller stuffs.

* Still can choose preferred R engine among JRIengine and Rserve.


Release download location:

-------------------------

https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/target/MZmine-2.11-EEE-release-20141209.zip

Thanks by advance for your feedback.
Cheers
Gauthier

Note: Since I haven't been updating from trunk since the middle of the
2.11, there might be some incompatibilities with 2.12. Having this
branch up to date is my next priority. I'll also be glad to help with
working on the trunk to get 'Rserve' integrated, in case you find what I
did with the branch convincing.

[Tomas]: Have you been looking deeper into 'Renjin'? Is it still an
option, something we should dig into?



On 12/04/2014 07:59 AM, Tomas Pluskal wrote:
Hi Gauthier,

I tried running your build _without_ installing the Rserve package first. I got 
some exceptions in the console:

[15:44:20|INFO|RSessionWrapper]: Please install Rserve manually in your R 
environment using "install.packages('Rserve',,'http://www.rforge.net/')" 
command.
Please install Rserve manually in your R environment using 
"install.packages('Rserve',,'http://www.rforge.net/')" command.
Connecting R://localhost ... no: Cannot connect: Connection refused
Connection R://localhost failed.
[15:44:21|INFO|RSessionWrapper]: Failed to launch local Rserve. Unable to 
initialize Rsession.
Failed to launch local Rserve. Unable to initialize Rsession.
java.lang.IllegalArgumentException: Failed to launch local Rserve. Unable to 
initialize Rsession.
at org.math.R.Rsession.begin(Rsession.java:408)
at org.math.R.Rsession.startup(Rsession.java:337)
at org.math.R.Rsession.<init>(Rsession.java:329)
at org.math.R.Rsession.newInstanceTry(Rsession.java:300)
at 
net.sf.mzmine.util.RSessionWrapper.getRengineInstance(RSessionWrapper.java:145)
at net.sf.mzmine.util.RSessionWrapper.open(RSessionWrapper.java:317)
at 
net.sf.mzmine.modules.rawdatamethods.filtering.baselinecorrection.BaselineCorrectionTask.run(BaselineCorrectionTask.java:126)
at net.sf.mzmine.taskcontrol.impl.WorkerThread.run(WorkerThread.java:60)
[15:44:21|SEVERE|BaselineCorrectionTask]: Unknown baseline correction 
error.(java.lang.IllegalStateException: This feature requires R but it couldn't 
be loaded (Failed to launch local Rserve. Unable to initialize 
Rsession.)@net.sf.mzmine.modules.rawdatamethods.filtering.baselinecorrection.BaselineCorrectionTask.run(BaselineCorrectionTask.java:129))
[15:44:21|SEVERE|WorkerThread]: Unhandled exception 
java.lang.NullPointerException while processing task Correcting baseline for 
A(java.lang.nullpointerexcept...@net.sf.mzmine.util.RSessionWrapper.close(RSessionWrapper.java:409))
java.lang.NullPointerException
at net.sf.mzmine.util.RSessionWrapper.close(RSessionWrapper.java:409)
at 
net.sf.mzmine.modules.rawdatamethods.filtering.baselinecorrection.BaselineCorrectionTask.run(BaselineCorrectionTask.java:176)
at net.sf.mzmine.taskcontrol.impl.WorkerThread.run(WorkerThread.java:60)


IMHO it is better to avoid using the IllegalArgumentException or other 
undeclared runtime exceptions. If your code might fail, then please declare 
properly the exceptions it might throw.

After installing the Rserve package, everything is running smoothly. Although, 
it still requires the R_HOME variable to be set. If I don't set it, I get this 
error:

[15:52:14|INFO|RSessionWrapper]: Rserve R://localhost is not accessible.
[15:52:14|INFO|RSessionWrapper]: Trying to spawn R://localhost
[15:52:14|INFO|RSessionWrapper]: Environment variables:
  R_HOME=/usr/lib/R/
java.lang.IllegalArgumentException: R_HOME environment variable not correctly 
set.
You can set it using 'java ... -DR_HOME=[Path to R] ...' startup command.
at org.math.R.Rdaemon.start(Rdaemon.java:218)
at org.math.R.Rsession.begin(Rsession.java:392)
at org.math.R.Rsession.startup(Rsession.java:337)
at org.math.R.Rsession.<init>(Rsession.java:329)
at org.math.R.Rsession.newInstanceTry(Rsession.java:300)
at 
net.sf.mzmine.util.RSessionWrapper.getRengineInstance(RSessionWrapper.java:145)
at net.sf.mzmine.util.RSessionWrapper.open(RSessionWrapper.java:317)
at 
net.sf.mzmine.modules.rawdatamethods.filtering.baselinecorrection.BaselineCorrectionTask.run(BaselineCorrectionTask.java:126)
at net.sf.mzmine.taskcontrol.impl.WorkerThread.run(WorkerThread.java:60)


Anyway, I think this Rserve solution looks much better than the JRI interface 
that is currently used.

Best regards,

Tomas



On Dec 4, 2014, at 4:32, Gauthier Boaglio <gauthier.boag...@gmail.com> wrote:

Hi,

For the record, "Rsession" did the trick. With some little drawbacks - fixable 
small ones - for UNIX platforms. I'll see that later. Here's a release working 
theoretically on all platforms with Java 1.7 or higher:

https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/target/MZmine-2.11-EEE-release-20141203.zip

Cheers
Gauthier


On 12/03/2014 05:17 AM, Tomas Pluskal wrote:
Hi Gauthier,

I think another option to consider seriously is Renjin. Although Renjin in its 
current development state does not really support installation of packages, we 
could simply copy & paste the relevant functions from the existing R packages.
If that works, no configuration or platform-specific hacks would be necessary, 
as Renjin is pure java.

Cheers,

Tomas






On Dec 3, 2014, at 12:44, Gauthier Boaglio <gauthier.boag...@gmail.com> wrote:

I just went through "rSession" code again and a bit further, and I might have 
spoken too fast.
Mainly classes "Rsession" and "RserverConf" seems to speak about things like 
"windows multi-session emulation", playing with ports, etc. (Sounds like 
exactly what I was trying to describe previously, isn't it?).
I'll have a new fresh eye on it tomorrow (that could avoid to reinvent the 
wheel). 5AM over here...

Cheers
Gauthier


-------- Forwarded Message --------
Subject: Re: [Mzmine-devel] R usage in MZmine - What about replacing JRIengine? 
- Not working well under Windows.
Date: Wed, 03 Dec 2014 04:29:34 +0100
From: Gauthier Boaglio <gauthier.boag...@gmail.com>
To: mzmine-devel@lists.sourceforge.net

Hi Tomas,

Yes I have, and it really doesn't help that much, that is why I preferred 
implementing my own minimalistic class. I might change my mind at some point, 
but I don't believe adding this dependency corresponds to an actual need.

Otherwise, I have some news about Rserve (quite bad ones). It relies on unix 
features and is not able, under windows, to 'fork' instances like unix systems 
do. This is quite deceiving. But, I am implementing a workaround: windows 
specific solution to mimic processes forking. We'll see if it is convincing 
once I have it working.
Since we still can run several instances of Rserve main server under windows 
(despite we cannot use the great UNIX features), the idea is:

Creating a pool of a finite number of warm instances of Rserve - 8 is a good 
number I suppose, ready for use (and started at the application startup, or at 
the very first time R is required). Those instances would have to be mapped on 
dedicated/respective ports (one for each worker of the pool). Those port should 
be chosen among "IANA Registered but marked as UNASSIGNED ports, if I'm 
correct. As long as we don't need more workers than the default warm ones, we 
manage the                   pool, reserving and releasing them on demand. If 
the amount of concurrent R tasks required increases, we still can scale the 
size (number of active/alive workers) of the pool. When no more R task is 
running, we can then scale back to normal, and put the default number of warm 
workers to sleep.

I am a bit tired, so my apologies if my English is getting odd, but I hope that 
what I am telling here is clear enough.
So, to make it short: Rserve is not ideal (well, it is, but windows isn't). At 
least, I found nothing better anywhere. A workaround can be concidered, which I 
am going to implement for my own needs anyway, so you'll have the occasion to 
test it quite soon.

I'll check again if "Rsession" doesn't provides the features I am working on 
already, but I'm pretty sure it doesn't.

So, what do you say? To my opinion, with a good handy wrapper, all this could 
be viable...
If you have any idea or suggestion about all this. Please tell me such that I 
can integrate into my reflections.

Cheers
Gauthier




On 12/03/2014 01:54 AM, Tomas Pluskal wrote:
Hi Gauthier,

Just wondering - have you checked the Rsession project? 
(https://code.google.com/p/rsession/)
I don't have any personal experience with it, but it seems to contain the code 
to run the Rserve from java.

Cheers,

Tomas


On Dec 3, 2014, at 3:43, Gauthier Boaglio <gauthier.boag...@gmail.com> wrote:

Hi,

My apologies to those who tried to test (hope none of you actually) the release 
linked above under Windows. This is working under Linux, but not (completely) 
under Windows.
Sorry about that. I try to fix it ASAP and keep you informed.

Cheers
Gauthier



On 12/02/2014 11:47 AM, Gauthier Boaglio wrote:
Text formatted message (for non HTML mailers)


-------- Forwarded Message --------
Subject:     R usage in MZmine - What about replacing JRIengine to get 
multi-threading support?
Date:     Tue, 02 Dec 2014 11:36:55 +0100
From:     Gauthier Boaglio <gauthier.boag...@gmail.com>
To:     mzmine-devel@lists.sourceforge.net


Hi everyone,

I begun to use Rserve (multi-threaded), instead of JRIengine (singleton / 
mono-threaded), in my personal experimental branch and really think we could 
replace JRIengine (which does not take advantage of parallel tasks processing, 
as you know), by the former.
I released a version using Rserve (restricted to the "Baseline Correction 
Module"). If you want to give it a try, here it is:
https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/target/MZmine-2.11-EEE-release-20141128.zip

Main points:
-----------

* Requirements:
  ------------

    No changes in "startMZmine" script (we just need to locate "R_HOME", as 
usual).
    The only requirement is to have the "Rserve" R package installed. Then it 
is ran through a simple R command, looking like:
        library(Rserve);Rserve(debug=TRUE/FALSE, args="--RS-enable-control")
        # Where '--RS-enable-control' is used and mandatory to enable sending 
"SIGKILL/SIGTERM" to the Rserve instances
        # (when we need to abort a blocking 'eval' being performed)
    (Note: we already had to install "rJava" for using JRI). So this does not 
stand for a big additional constraint for the user.

    => The Rserve runnable (server app.) comes with the said R package

    Note: I believe we could even simplify the "startMZmine" workflow, by first 
trying to detect the R location automatically.
        (the environment variables to be assigned in the script would be used 
only as a fallback in case the detection failed)

        That would more or less look like (See: RUtilities.java) :

            public static String getRexecutablePath() {

                String osname = System.getProperty("os.name");
                if (osname != null && osname.length() >= 7 && 
osname.substring(0,7).equals("Windows")) {
                    LOG.log(Level.INFO, "Windows: query registry to find where 
R is installed ...");
                    String installPath = null;
                    try {
                        Process rp = Runtime.getRuntime().exec("reg query 
HKLM\\Software\\R-core\\R");
                        StreamHog regHog = new StreamHog(rp.getInputStream(), 
true);
                        rp.waitFor();
                        regHog.join();
                        installPath = regHog.getInstallPath();
                    } catch (Exception rge) {
                        LOG.log(Level.SEVERE, "ERROR: unable to run REG to find 
the location of R: "+rge);
                        return null;
                    }
                    if (installPath == null) {
                        LOG.log(Level.SEVERE, "ERROR: canot find path to R. 
Make sure reg is available and R was installed with registry settings.");
                        return null;
                    }
                    return installPath + "\\bin\\R.exe";
                }

                File f = new 
File("/Library/Frameworks/R.framework/Resources/bin/R");
                if (f.exists()) return f.getPath();
                f = new File("/usr/local/lib/R/bin/R");
                if (f.exists()) return f.getPath();
                f = new File("/usr/lib/R/bin/R");
                if (f.exists()) return f.getPath();
                f = new File("/sw/bin/R");
                if (f.exists()) return f.getPath();
                f = new File("/usr/common/bin/R");
                if (f.exists()) return f.getPath();
                f = new File("/opt/bin/R");
                if (f.exists()) return f.getPath();


                return null;

            }


* The way it works:
  ----------------

    Rserve is a server (implements a communication protocol with R) and, to 
keep it simple, it should be run on localhost and default
    port 6311 (this is something that should probably be mentioned to the user, 
for security and eventually firewall configuration reasons).
    Each time we create a new "RConnection", the main instance of Rserve starts 
a new child process.
    - We can store the PID of this instance for later termination.
    - We can run asynchronously as many instances as we want (as long as we 
take care to close/terminate the ones that are no longer used).

    => I already implemented a basic wrapper (that should be enhanced) for 
those operations:
        
https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/src/main/java/net/sf/mzmine/util/RSession.java
        (Simplified version of the class in attachment).

    => The code for starting Rserve main server instance is located in 
"RUtilities.java" for now:
        
https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/src/main/java/net/sf/mzmine/util/RUtilities.java

    => USAGE (a sample use case can be found in the 
BaselineCorrectionTask.java):

        Basically, evaluating one or more R commands is done as follows:

            - Create and open a new session:
                // (This will automatically start Rserve, if not already 
running, and open a new slave instance for this task)
                String[] reqPackages = new String[] { "ptw" };
                RSession rSession = new RSession(reqPackages);
                rSession.open();

            - Check the additional packages necessary to perform the commands 
for the given session:
                // Returns the first failing required package name or null if 
successful
                String missingPackage = rSession.loadRequiredPackages();

            - Do some R evaluations, such as:
                // Set chromatogram.
                rSession.assignDoubleArray("chromatogram", chromatogram);
                // Calculate baseline.
                rSession.eval("baseline <- asysm(chromatogram," + smoothing + 
"," + asymmetry + ")");
                baseline = rSession.collectDoubleArray("baseline");

            - Release the session (closes the socket connection for the session 
and ends the related Rserve slave process):
                rSession.close(false);

                Note: We should also check, at some point, if no more tasks are 
requiring Rserve, and shutdown the server.
                    (it will be restarted the next time we use a MZmine feature 
requiring R anyway...)

* Performance considerations:
  --------------------------

Source: 
http://www.sciencedomain.org/download.php?f=Satman4152014BJMCS10902_1.pdf&aid=4838&type=a

The performances where good enough for what I had to do with the 
BaselineCorretors. So, at very first sight, this should fit the other needs
(anyway, the other very few multi-threaded alternatives I gave a test where not 
exploitable in term of evaluation speed).
May be we should/will have to consider switching between JRIengine and Rserve 
for some particular features). I hope not, but in any case,
this is something which seems doable: as far as I tested, there is absolutely 
no incompatibilities between Rserve and JRI.

To make your own opinion on all this, the BaselineCorretorModule (again) allows 
to choose the R engine among RCaller (Online), JRIengine and Rserve.
Just run the MZmine version linked on top of this email, and go to "Raw data 
methods > Filtering > Baseline Correction"



Fill free to ask if something is unclear or if you have any further 
questionings.
Looking forward to your constructive comments and thoughts...

I'll be glad to help, as much as possible, with migrating to Rserve (if it 
turns out that this solution really is viable).

Cheers
Gauthier



-------- Forwarded Message --------
Subject:     Re: [Mzmine-devel] Baseline correction
Date:     Tue, 2 Dec 2014 05:15:41 +0000
From:     Tomas Pluskal <plus...@oist.jp>
To:     Gauthier Boaglio <gauthier.boag...@gmail.com>


Hi Gauthier,
Now that we released version 2.12, I think it is a good time to consider making 
the switch from JRI to RServe.
I think it is a good idea - I don't really like the current JRI interface.
It would be great if you could send a message to the devel list, where you can 
summarize what you found about RServe. Especially, we would like to know
1) is the initial setup and configuration going to be easier than the current 
one (is it necessary to edit the startMZmine script in order to use RServe?)
2) how does the actual code differ between RServe and JRI?
Thanks a lot!
Cheers,
Tomas
===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890

--
Gauthier BOAGLIO
CEFE - UMR 5175
1919 route de Mende
F-34293 Montpellier cedex 5

Tel: +33/0 4 67 61 32 15
Fax: +33/0 4 67 61 33 36

email: gauthier.boag...@cefe.cnrs.fr
www:   
http://www.cefe.cnrs.fr/en/evolutionary-ecology-and-epidemiology/gauthier-boaglio
       http://www.evolepid.org/people.php?name=boaglio




-------- Forwarded Message --------
Subject: R usage in MZmine - What about replacing JRIengine to get 
multi-threading support?
Date: Tue, 02 Dec 2014 11:36:55 +0100
From: Gauthier Boaglio <gauthier.boag...@gmail.com>
To: mzmine-devel@lists.sourceforge.net

Hi everyone,

I begun to use Rserve (multi-threaded), instead of JRIengine (singleton / 
mono-threaded), in my personal experimental branch and really think we could 
replace JRIengine (which does not take advantage of parallel tasks processing, 
as you know), by the former.
I released a version using Rserve (restricted to the "Baseline Correction 
Module"). If you want to give it a try, here it is:

https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/target/MZmine-2.11-EEE-release-20141128.zip

Main points:
-----------

* Requirements:

  ------------


No changes in "startMZmine" script
 (we just need to locate "R_HOME", as usual).
The only requirement is to have the "Rserve" R package installed. Then it is 
ran through a simple R command, looking like:
library(Rserve);Rserve(debug=TRUE/FALSE, args="--RS-enable-control")
# Where '--RS-enable-control' is used and mandatory to enable sending 
"SIGKILL/SIGTERM" to the Rserve instances
# (when we need to abort a blocking 'eval' being performed)
(Note: we already had to install "rJava" for using JRI). So this does not stand 
for a big additional constraint for the user.

=> The Rserve runnable (server app.) comes with the said R package


Note: I believe we could even simplify the "startMZmine" workflow
, by first trying to detect the R location automatically.
(the environment variables to be assigned in the script would be used only as a 
fallback in case the detection failed)

That would more or less look like (See:
RUtilities.java
) :

public static String getRexecutablePath() {

String osname = System.getProperty("os.name");
if (osname != null && osname.length() >= 7 && 
osname.substring(0,7).equals("Windows")) {
LOG.log(Level.INFO, "Windows: query registry to find where R is installed ...");
String installPath = null;
try {
Process rp = Runtime.getRuntime().exec("reg query HKLM\\Software\\R-core\\R");
StreamHog regHog = new StreamHog(rp.getInputStream(), true);
rp.waitFor();
regHog.join();
installPath = regHog.getInstallPath();
} catch (Exception rge) {
LOG.log(Level.SEVERE, "ERROR: unable to run REG to find the location of R: 
"+rge);
return null;
}
if (installPath == null) {
LOG.log(Level.SEVERE, "ERROR: canot find path to R. Make sure reg is available 
and R was installed with registry settings.");
return null;
}
return installPath + "
\\bin\\R.exe
";
}

File f = new File("/Library/Frameworks/R.framework/Resources/bin/R");
if (f.exists()) return f.getPath();
f = new File("/usr/local/lib/R/bin/R");
if (f.exists()) return f.getPath();
f = new File("/usr/lib/R/bin/R");
if (f.exists()) return f.getPath();
f = new File("/sw/bin/R");
if (f.exists()) return f.getPath();
f = new File("/usr/common/bin/R");
if (f.exists()) return f.getPath();
f = new File("/opt/bin/R");
if (f.exists()) return f.getPath();


return null;

}


* The way it works:
  ----------------

Rserve is a server (implements a communication protocol with R) and, to keep it 
simple, it should be run on localhost and default
port 6311 (this is something that should probably be mentioned to the user, for
security and eventually firewall configuration reasons
).
Each time we create a new "RConnection", the main instance of Rserve starts a 
new child process.
- We can store the PID of this instance for later termination.
- We can run asynchronously as many instances as we want (as long as we take 
care to close/terminate the ones that are no longer used).

=> I already implemented a basic wrapper (that should be enhanced) for those 
operations:

https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/src/main/java/net/sf/mzmine/util/RSession.java

(Simplified version of the class in attachment).

=> The code for starting Rserve main server instance is located in 
"RUtilities.java" for now:

https://sourceforge.net/p/mzmine/code/HEAD/tree/branches/gboaglio-experimental/src/main/java/net/sf/mzmine/util/RUtilities.java


=>
USAGE (a sample use case can be found in the BaselineCorrectionTask.java
):

Basically, evaluating one or more R commands is done as follows:

- Create and open a new session:
// (This will automatically start Rserve, if not already running, and open a 
new slave instance for this task)
String[] reqPackages = new String[] { "ptw" };
RSession rSession = new RSession(reqPackages);
rSession.open();

- Check the additional packages necessary to perform the commands for the given 
session:
// Returns the first failing required package name or null if successful
String missingPackage = rSession.loadRequiredPackages();

- Do some R evaluations, such as:
// Set chromatogram.
rSession.assignDoubleArray("chromatogram", chromatogram);
// Calculate baseline.
rSession.eval("baseline <- asysm(chromatogram," + smoothing + "," + asymmetry + 
")");
baseline = rSession.collectDoubleArray("baseline");

- Release the session (closes the socket connection for the session and ends 
the related Rserve slave process):
rSession.close(false);


Note:
 We should also check, at some point, if no more tasks are requiring Rserve, 
and shutdown the server.
(it will be restarted the next time we use a MZmine feature requiring R 
anyway...)

* Performance considerations:
  --------------------------

<Mail Attachment.png>
Source: 
http://www.sciencedomain.org/download.php?f=Satman4152014BJMCS10902_1.pdf&aid=4838&type=a
The performances where good enough for what I had to do with the 
BaselineCorretors. So, at very first sight, this should fit the other needs
(anyway, the other very few multi-threaded alternatives I gave a test where not 
exploitable in term of evaluation speed).
May be we should/will have to consider switching between JRIengine and Rserve 
for some particular features).
I hope not
, but in any case,
this is something which seems doable: as far as I tested, there is absolutely 
no incompatibilities between Rserve and JRI.

To make your own opinion on all this, the BaselineCorretorModule (again) allows 
to choose the R engine among
RCaller (Online), JRIengine and Rserve
.
Just run the MZmine version linked on top of this email, and go to "Raw data 
methods > Filtering > Baseline Correction"

<Mail Attachment.png>



Fill free to ask if something is unclear or if you have any further 
questionings.
Looking forward to your constructive comments and thoughts...

I'll be glad to help, as much as possible, with migrating to Rserve (if it 
turns out that this solution really is viable).

Cheers
Gauthier



-------- Forwarded Message --------
Subject: Re: [Mzmine-devel] Baseline correction
Date: Tue, 2 Dec 2014 05:15:41 +0000
From: Tomas Pluskal <plus...@oist.jp>
To: Gauthier Boaglio <gauthier.boag...@gmail.com>

Hi Gauthier,

Now that we released version 2.12, I think it is a good time to consider making 
the switch from JRI to RServe.
I think it is a good idea - I don't really like the current JRI interface.

It would be great if you could send a message to the devel list, where you can 
summarize what you found about RServe. Especially, we would like to know
1) is the initial setup and configuration going to be easier than the current 
one (is it necessary to edit the startMZmine script in order to use RServe?)
2) how does the actual code differ between RServe and JRI?

Thanks a lot!

Cheers,

Tomas

===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890


--
Gauthier BOAGLIO
CEFE - UMR 5175
1919 route de Mende
F-34293 Montpellier cedex 5

Tel: +33/0 4 67 61 32 15
Fax: +33/0 4 67 61 33 36

email:
gauthier.boag...@cefe.cnrs.fr

www:
http://www.cefe.cnrs.fr/en/evolutionary-ecology-and-epidemiology/gauthier-boaglio


http://www.evolepid.org/people.php?name=boaglio







--
Gauthier BOAGLIO
CEFE - UMR 5175
1919 route de Mende
F-34293 Montpellier cedex 5

Tel: +33/0 4 67 61 32 15
Fax: +33/0 4 67 61 33 36

email:
gauthier.boag...@cefe.cnrs.fr

www:
http://www.cefe.cnrs.fr/en/evolutionary-ecology-and-epidemiology/gauthier-boaglio


http://www.evolepid.org/people.php?name=boaglio



------------------------------------------------------------------------------
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from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
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Mzmine-devel mailing list
Mzmine-devel@lists.sourceforge.net
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===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890



------------------------------------------------------------------------------
Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server
from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
Get technology previously reserved for billion-dollar corporations, FREE

http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk


_______________________________________________
Mzmine-devel mailing list

Mzmine-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/mzmine-devel

--
Gauthier BOAGLIO
CEFE - UMR 5175
1919 route de Mende
F-34293 Montpellier cedex 5

Tel: +33/0 4 67 61 32 15
Fax: +33/0 4 67 61 33 36

email:
gauthier.boag...@cefe.cnrs.fr

www:
http://www.cefe.cnrs.fr/en/evolutionary-ecology-and-epidemiology/gauthier-boaglio


http://www.evolepid.org/people.php?name=boaglio





===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890



------------------------------------------------------------------------------
Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server
from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
Get technology previously reserved for billion-dollar corporations, FREE

http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk


_______________________________________________
Mzmine-devel mailing list

Mzmine-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/mzmine-devel

--
Gauthier BOAGLIO
CEFE - UMR 5175
1919 route de Mende
F-34293 Montpellier cedex 5

Tel: +33/0 4 67 61 32 15
Fax: +33/0 4 67 61 33 36

email:
gauthier.boag...@cefe.cnrs.fr

www:
http://www.cefe.cnrs.fr/en/evolutionary-ecology-and-epidemiology/gauthier-boaglio


http://www.evolepid.org/people.php?name=boaglio



------------------------------------------------------------------------------
Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server
from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
Get technology previously reserved for billion-dollar corporations, FREE
http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk_______________________________________________
Mzmine-devel mailing list
Mzmine-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/mzmine-devel
===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890


------------------------------------------------------------------------------
Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server
from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
Get technology previously reserved for billion-dollar corporations, FREE
http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk
_______________________________________________
Mzmine-devel mailing list
Mzmine-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/mzmine-devel


--
Gauthier BOAGLIO
CEFE - UMR 5175
1919 route de Mende
F-34293 Montpellier cedex 5

Tel: +33/0 4 67 61 32 15
Fax: +33/0 4 67 61 33 36

email: gauthier.boag...@cefe.cnrs.fr
www:   
http://www.cefe.cnrs.fr/en/evolutionary-ecology-and-epidemiology/gauthier-boaglio
       http://www.evolepid.org/people.php?name=boaglio


------------------------------------------------------------------------------
Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server
from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
Get technology previously reserved for billion-dollar corporations, FREE
http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk
_______________________________________________
Mzmine-devel mailing list
Mzmine-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/mzmine-devel

===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890

------------------------------------------------------------------------------
Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server
from Actuate! Instantly Supercharge Your Business Reports and Dashboards
with Interactivity, Sharing, Native Excel Exports, App Integration & more
Get technology previously reserved for billion-dollar corporations, FREE
http://pubads.g.doubleclick.net/gampad/clk?id=164703151&iu=/4140/ostg.clktrk
_______________________________________________
Mzmine-devel mailing list
Mzmine-devel@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/mzmine-devel

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