New version 2.71

The “Coco Bongo” release.
Speed up of the spherical component calculation in standard functions in the case of texture broadening coefficients. Corrected the behaviour of the omega offset in the Hippo Wizard.

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6 comments on “New version 2.71
  1. Sven says:

    Hi Luca,

    the new versions don’t respond to

    analysis_default.storeSpectraWithParameters

    in parameters and always save the spectra with the PAR file. That prevents me from re-using an analysis on a different data set. With the script below users may strip the data out, replace file names and re-load a PAR file to re-cycle an analysis:

    #!/bin/bash
    awk ‘{
    if(NR == 1){output=”on”}
    if($0 ~ /\#custom_object_intensity_data/){output=”off”; next}
    if($0 ~ /\#end_custom_object_intensity_data/){output=”on”; next}
    if(output == “on”){print}
    }’ $1

    maybe can be fixed in the next release?

  2. Sven says:

    Hi Luca, I had to use the absorption model for neutron TOF quite extensively and I believe the assumption that you can model a sample geometry for all histograms is incorrect: Since the only variable parameters in the absorption model in MAUD are a sample length for a given sample direction, we are ignoring the fact that the same sample direction can be measured with two detectors, let’s say 40 and 144 on HIPPO. For a cylinder, the 144s would see the direction in reflection, the 40s would see it transmission geometry. Both have very different travel path in the sample that cannot be modeled with a single sample geometry.

    If I am not misunderstanding the MAUD model, I propose that we need a different absorption model. I suggest the one implemented in GSAS, with one absorption parameter per histogram, independent of the sample direction.

  3. Sven says:

    Another wish for the upcoming Iguana Release:

    The interpolated background is great, but right now I have to either accept what the algorithm comes up with for the location of the points or manually edit 135 histograms…

    Is it possible to create a position list in d-spacing for all detectors? Assuming that all detectors see the same phases, besides peak width the patterns and therefore the interpolation points will be similar. I could then manually fine tune a worst resolution pattern and then somehow link all other patterns to that master pattern, no matter what detector band I am working with.

    This would be really useful!

  4. Sven says:

    I tried to look into the preferences file and it took me a while to find it. On my Linux system I can see it with

    [sven@svenslaptop maud]$ cat ~/.java/.userPrefs/_\!\’k\!d\!\!u\!\(\`\!bg\”p\!\(@\!bg\!u\!\’k\!bg\”n\!#4\!cg\”p\!\(\:\!d\!\”h\!#4\!d@\”0\!\’k\!b\!\!u\!%0\!\}@\”1\!\’@\!\`\!\”y\!\’\`\!~g\”l\!\(\)\!~@\”u\!\’\:\!~@\”z/prefs.xml

    Is there an easier path one could use? I am having no luck in changing the default path to load an analysis from ../maud/doc to my folder. If I change it in preferences, I see that the above file us updated, but it goes back to the doc folder. If I change it in the prefs.xml file in an editor and open Maud, it also goes back to the doc folder, even if I just delete the maud/doc/ part to make sure I have a valid folder.

    Seems like the new preferences system is still buggy?

  5. Lee says:

    When I downloaded the latest version and open Maud.bat. There is something wrong with it on the console window shown as below.

    Lib dir: lib
    Check paths and libraries….
    Reading from jar file: lib\Maud.jar, entry(files/atominfo.cif)
    Reading from jar file: lib\Maud.jar, entry(files/CWWARRAY.DAT)
    Reading from jar file: lib\Maud.jar, entry(files/IADARRAY.DAT)
    cctbx native library not loaded, using SgInfo!
    java.lang.UnsatisfiedLinkError: no cctbxForMaud in java.library.path
    at java.lang.ClassLoader.loadLibrary(ClassLoader.java:1867)
    at java.lang.Runtime.loadLibrary0(Runtime.java:870)
    at java.lang.System.loadLibrary(System.java:1122)
    at it.unitn.ing.rista.util.SpaceGroups.(SpaceGroups.java:78)
    at it.unitn.ing.rista.diffr.sdpd.GenerateIndexingData.(GenerateIndexingData.java:40)
    at java.lang.Class.forName0(Native Method)
    at java.lang.Class.forName(Class.java:264)
    at it.unitn.ing.rista.util.ClassScanner.getClassListFromJar(ClassScanner.java:348)
    at it.unitn.ing.rista.util.Constants.initConstants(Constants.java:956)
    at com.radiographema.Maud.programInitialization(Maud.java:61)
    at com.radiographema.Maud.initInteractive(Maud.java:156)
    at com.radiographema.Maud.main(Maud.java:149)

    • admin says:

      It’s normal, don’t worry. Maud will work one day with the cctbx library instead of the built in SgInfo for all crystallographic computations.
      But the cctbxForMaud interface is still under testing and not included in the distributed official Maud version. So you see the error. When the cctbx layer will be ready and included, the error will disappear.

      Luca

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