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Peak fitting errors with XFI data (follow-up & and fixes)

Today I noticed with our student's new install of SMAK 3.0.9 (although this was also happening with my 3.0.8 version originally before I fixed my .cfg file) the defaultPyMCAConfig.cfg file has a line that causes peak fitting to crash when performing MCA peak-fitting. The error that comes back from SMAK is:


ValueError Exception in Tk callback
  Function: <bound method Main.testMCAfitdata of <__main__.Main object at 0x000002EAA3173370>> (type: <class 'method'>)
  Args: ()
Traceback (innermost last):
  File "C:\ProgramData\Miniconda3\envs\smakenv\lib\site-packages\Pmw\Pmw_2_1_1\lib\PmwBase.py", line 1761, in __call__

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This post is from a suggested group

승진 박
승진 박

I request the sam ware sixpack manual

Hello Sam,

I am a graduate student at Chungbuk University in Korea. 

I am trying to use Sixpack for data analysis, but I am unable to find the manual on the Samware website, which is preventing me from using it properly. 

On the homepage, Sixpack's manual is  under construction. 

Could you please send me the manual or some information like a document about Sixpack?

Thank you.

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This post is from a suggested group

Some mu files can't be plotted in Sixpack PCA module

Hello,

I'm noticing that as I process some XAS data, some mu files (which I've prepared by averaging scans in SamView and then correcting in the background removal module) can't be plotted correctly when they are opened in the PCA module. When multiple files are prepared identically, some are affected and others are not. Both the .mu and .xdi mu files are affected. The files contain full spectra and I can't see any obvious problems in the files.


Repeating the processing steps with the same raw data seems to result in an identical mu file that can't be plotted. I get the same problem with versions 1.4 and 1.5.6. I haven't tried another computer yet but I'm having the problem on the BL4-1 processing computer. I made sure there are no hyphens in my file names.


I'm attaching example files and an image of the failed plotting.


Thanks for any…


42 Views
eric.ellison
13. Dez. 2024

Thanks Eleanor, no, my file names start with regular letters. Looks like the issue is that some of my step sizes were smaller than the default interpolation size. Turning off interpolation solved the problem, as did setting the interpolation smaller than my smallest energy steps.

This post is from a suggested group

MacOSX Arm architecture

I recently did a fresh install of Anaconda3 and SMAK on a M1 Mac.

While my previous installation of Anaconda and SMAK proceeded exactly as described on the installation webpage, this time I came across some hurdles.


  1. While I believe that I had installed my previous Anaconda3 for all users, the "/opt/anaconda3" direcoty was in my "User/opt/anaconda3" directory as described in the installation instructions on sams-xrays. Yet this new installation installed in "/opt/anaconda3". i.e. directly on the Macintosh HD, not in the user directory. I may be mistaken about my previous install, but it is worth noting that maybe something changed with the installation defaults. Anyway, this meant that my shortcut no longer worked and I had to edit for the new directory.

  2. The command for creating the smakenv "conda create -n smakenv python==3.10" created the environment in the "osx-arm64" architecture. i.e. the Apple Silicon architecture. The previous architecture is "osx-64". Not…

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Chandni Agarwal
Chandni Agarwal
15. Sept. 2025

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This post is from a suggested group

New installation error - Numpy Related

Hi - another error for installation has been reported.

We should get this in the installer in release 3.10, but until then, a new version of PyMCA was released using numpy 2.0, which breaks SMAK. Once there is a more uniform use of numpy 2.0 across all dependencies, SMAK will upgrade to numpy2.0 as well, but for now, we have to stick to the old version.


If you run into a numpy error in pyMCA when running smak, please downgrade pyMCA for now:

“pip install pymca5==5.8.2”


PyMCA 5.8.2 will definitely work, and maybe up to 5.9.0....


Cheers!

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15. Sept. 2025

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Create a Shortcut on the desktop for a Mac!

Ok, for the Mac people out there, you can follow these steps...


(1) Open "Automator" on your Mac

(2) Create a new application, you can call it anything you like (I called mine RunSMAK)

(3) Crate a new step from "Run AppleScript"

(4) Your AppleScript should contain:


on run


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winprofx winprofx
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15. Sept. 2025

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Jocelyn Richardson
Jocelyn Richardson

Create a desktop shortcut to SMAK 3.0

Create a desktop shortcut to SMAK 3.0

  1. Open a new notebook file 

  2. Type the following: 

call C:\Users\Anaconda3\Scripts\activate.bat smakenv

pause

cd C:\Users\Anaconda3\envs\smakenv\Lib\site-packages\smak

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This post is from a suggested group

Manuel Vejar
Manuel Vejar

NumPy 2.0 error

(6/21/2024) Following installation of SMAK 3.0 on a PC running windows 10 (not sure if this is exclusive to W10), encountered the following error when trying to run SMAK:

A module that was compiled using NumPy 1.x cannot be run in NumPy 2.0.0 as it may crash. To support both 1.x and 2.x versions of NumPy, modules must be compiled with NumPy 2.0. Some module may need to rebuild instead e.g. with 'pybind11>=2.12

Likely, new versions of packages were released for Anaconda. Even Numpy versions that are < 2.0.0. may lead to this error.


NumPy 1.26 was found to solve the issue. To install:


pip install numpy==1.26.4

Then, SciPy also needed to be downgraded as outlined elsewhere in this forum:


1151 Views
Sarah Saslow
Sarah Saslow
13. Aug. 2024

If after this fix you get an error like this:


Traceback (most recent call last):

File "C:\...\anaconda3\envs\smakenv\Lib\site-packages\smak\smak.py", line 196, in <module>

import torch

File "C:\...\anaconda3\envs\smakenv\lib\site-packages\torch\__init__.py", line 148, in <module>

raise err

OSError: [WinError 126] The specified module could not be found. Error loading "C:\...\anaconda3\envs\smakenv\lib\site-packages\torch\lib\fbgemm.dll" or one of its dependencies.


Follow this simple fix involving the download of libomp140.x86_64.dll detailed here: https://stackoverflow.com/questions/78114412/import-torch-how-to-fix-oserror-winerror-126-error-loading-fbgemm-dll-or-depen

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OLUWADUNSIN OYETUNJI
OLUWADUNSIN OYETUNJI

Importing/adding an Athena file to SIXPACK

Hi everyone,


I have just downloaded SIXPACK version 1.5.6 to carry out PCA-target transform analysis but unable to import my athena files as they are not in the CHI file format. I also tried using samsview to upload but it required that I provide the channels for our scans as below:

The scans were obtained in transmission mode. I don't know what channels to select as this interface is different form athena and I have been getting error messages.


Please can anyone help with this:


  1. Is there a way to convert an athena prj file to CHI for direct import to sixpack


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Thank you for the reply.

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