While I am uploading dat file in CMPR software, I don't see any peak list in my index menu. So I am unable to continue further for peak indexing. How to solve this issue?
Robert Wahlstedt@Thank you very much for your suggesion. Actually, I am using window 7.
GSAS II and Maud softwares are used to perform texture analysis. What is the extension file need to be added in the pcr file in Fullprof to carry out texture analysis?
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If a ternary ABC2 compound with two sublattices, say BC4 and AC8, where B and C are at the center of tetrahedra and octahedra respectively, suppose if A atom is randomly fluctuating inside the AC8...
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The electron-phonon coupling is very common in condensed matter physics. But I am not sure if the same phenomenon is allowed between lone pair of electrons and phonon?.
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Is there any reading materials on case studies methodology. How to analyse multiple case studies?
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I'm currently exploring the application of Python in textile engineering, specifically in areas like data analysis, process automation, and the development of smart textiles. I'm interested in...
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Request Python code from this article : Gender equity of authorship in pulmonary medicine over the past decade. THANKS!
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07 August 2024 7,013 4 View
I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.
05 August 2024 2,977 3 View
Hello everyone, I am currently working on a research project that aims to integrate machine learning techniques into an open source SIEM tool to automate the creation of security use cases from...
04 August 2024 3,196 2 View
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In molecular dynamics simulation, to get FEL analysis, I got an error. My Python version is 3.10.7. My input files are made with a lower version of Python. But the final command to generate the...
23 July 2024 5,646 2 View
I am now developing a python module for ms2 database searching, would like to realize a function that similar to what Xcalibur did, choose multiple mass spectra and get an averaged spectra. But...
22 July 2024 3,975 1 View
Hello, dear RG community. Personally, I have found Xarray to be excruciatingly slow, especially for big datasets and nonstandard operations (like a custom filtering function). The only suggestion...
15 July 2024 4,705 2 View
There exists a neural network model designed to predict a specific output, detailed in a published article. The model comprises 14 inputs, each normalized with minimum and maximum parameters...
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