From 05ea0a1db8004b858e4160ab9a3ff949afb781ac Mon Sep 17 00:00:00 2001 From: Emma Schymanski Date: Fri, 3 Jan 2025 15:51:59 +0100 Subject: [PATCH] Dec 2024 PCL-CCS version Happy New Year @sneumann - here is a small New Year's gift, the CCS proc ran overnight and new file is ready for MetFrag! --- Dockerfile | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/Dockerfile b/Dockerfile index b06d651..eabe3a1 100644 --- a/Dockerfile +++ b/Dockerfile @@ -65,8 +65,8 @@ RUN cd /vol/file_databases && \ touch NPAtlas_2024_03.csv && \ wget -q https://zenodo.org/records/13854577/files/CyanoMetDB_V03_2024_MetFrag.csv && \ touch CyanoMetDB_V03_2024_MetFrag.csv && \ - wget -q https://zenodo.org/records/14273340/files/PubChemLite_CCSbase_20241129.csv && \ - touch PubChemLite_CCSbase_20241129.csv && \ + wget -q https://zenodo.org/records/14592473/files/PubChemLite_CCSbase_20241227.csv && \ + touch PubChemLite_CCSbase_20241227.csv && \ wget -q https://zenodo.org/records/14560968/files/PubChemLite_exposomics_20241227.csv && \ touch PubChemLite_exposomics_20241227.csv