{"id":34071170,"url":"https://github.com/msujas/pdfgetx3_gui","last_synced_at":"2025-12-14T07:58:24.497Z","repository":{"id":101026540,"uuid":"524725516","full_name":"msujas/pdfgetx3_gui","owner":"msujas","description":"A gui for running PDFgetX3","archived":false,"fork":false,"pushed_at":"2025-11-27T14:03:10.000Z","size":5916,"stargazers_count":5,"open_issues_count":2,"forks_count":2,"subscribers_count":1,"default_branch":"master","last_synced_at":"2025-11-30T05:28:50.941Z","etag":null,"topics":["gui","pdf","pdfgetx3","python"],"latest_commit_sha":null,"homepage":"","language":"Python","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"mit","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/msujas.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null,"zenodo":null,"notice":null,"maintainers":null,"copyright":null,"agents":null,"dco":null,"cla":null}},"created_at":"2022-08-14T16:38:19.000Z","updated_at":"2025-11-27T14:03:14.000Z","dependencies_parsed_at":"2024-11-12T10:37:46.616Z","dependency_job_id":null,"html_url":"https://github.com/msujas/pdfgetx3_gui","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/msujas/pdfgetx3_gui","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/msujas%2Fpdfgetx3_gui","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/msujas%2Fpdfgetx3_gui/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/msujas%2Fpdfgetx3_gui/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/msujas%2Fpdfgetx3_gui/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/msujas","download_url":"https://codeload.github.com/msujas/pdfgetx3_gui/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/msujas%2Fpdfgetx3_gui/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":27722521,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","status":"online","status_checked_at":"2025-12-14T02:00:11.348Z","response_time":56,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["gui","pdf","pdfgetx3","python"],"created_at":"2025-12-14T07:58:23.913Z","updated_at":"2025-12-14T07:58:24.490Z","avatar_url":"https://github.com/msujas.png","language":"Python","funding_links":[],"categories":[],"sub_categories":[],"readme":"# pdfgetx3_gui\nA gui for running PDFgetX3. I think it's a little easier to use than the interactive mode in PDFgetX3. Requires PDFgetX3 https://www.diffpy.org/products/pdfgetx.html, other dependencies (SciPy, numpy, matplotlib, PyQt5) will be installed through the installation (if not already installed). Recommended Python 3.10, and pip as your package manager, as this is the most recent version supported by PDFgetX3.\n\nTo install, either clone this repository and run ```pip install -e .``` (-e optional to make it editable), or from PyPi with ```pip install pdfgetx3gui```. This creates a python package with an exe file called pdfgetx3gui in the python 'Scripts' folder, then it can be run with ```pdfgetx3gui``` in the terminal (if Scripts is in your PATH). \n\nPlots update on changing parameter values. Log files are made to store the current configuration so the settings are the same on rerunning the script.\n\nSelected measurement files and background files are put into lists so they can be easily accessed again later. Press 'Plot' to run the calculation and display the selected plots (can choose any from I(Q), S(Q), F(Q), and G(r)). Pressing 'Save' will save text files containing the data of the selected plots. If the input format is '2theta', 'Save' will also return the background subtracted data as a function of 2theta with the name of \\\u003cbase file name\\\u003e_bkgsub.xy.\n\nThere's a rebinning option to reduce high Q noise. It's not so efficient, so could probably be faster.\n\n\n\u003cimg width=\"695\" height=\"579\" alt=\"image\" src=\"https://github.com/user-attachments/assets/b9d37adb-e36a-48c2-a1e0-2008cccae4a1\" /\u003e\n\n![image](https://github.com/user-attachments/assets/4a24f026-434b-45b5-a108-6493cbdf323c)\n\nTroubleshooting:\n\nIf there's issues with package conflicts, or Qt bugs, probably easiest to try a new Python 3.10 environment. Recommend using pip as your package manager (not conda's built in one). In conda e.g.\n```\nconda create -n pgx python==3.10\n```\nInstall pdfgetx3 - if you don't have: get license, download from Columbia Technology Ventures https://inventions.techventures.columbia.edu/licenses/pdfgetx3-n3-s3-free-academic--113\n```\npip install \u003cdiffpy pdfgetx3 filename\u003e.whl\n```\nclone this repository, navigate to it and install\n```\ncd \u003cpath\u003e/pdfgetx3_gui/\npip install -e .\n```\nOr from PyPi\n```\npip install pdfgetx3gui\n```\nThis will install other dependencies as well.\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmsujas%2Fpdfgetx3_gui","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmsujas%2Fpdfgetx3_gui","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmsujas%2Fpdfgetx3_gui/lists"}