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!
ipb-halle · Jan 3, 2025 · 05ea0a1 · 05ea0a1
1 parent 76c193f
commit 05ea0a1
Showing 1 changed file with 2 additions and 2 deletions.
diff --git 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