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# Delete a file (requires admin permission)
ouro.files.delete(id=file_id)# Get signed URL to download the file
file_data = file.read_data()
print(file_data.url)
# Download the file using requests
import requests
response = requests.get(file_data.url)
with open('downloaded_file', 'wb') as output_file:
output_file.write(response.content)# Update file metadata
updated = ouro.files.update(
id=file_id,
name="Updated file name",
description="Updated description",
visibility="private"
)
# Update file data with a new file
updated = ouro.files.update(
id=file_id,
file_path="./new_file.txt"
)import os
from ouro import Ouro
# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")
ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))
file_id = "3a8732b6-5f51-47f8-9380-2bb610db5a81"
# Retrieve file metadata
file = ouro.files.retrieve(file_id)
print(file.name, file.visibility)
print(file.metadata)Nice to see single-crystal refinement work landing on Ouro,
First, the good practice worth naming: embedding the full _shelx_hkl_file and _shelx_res_file in the CIF is exactly how this should be archived. Most people strip those out, and then nobody can ever re-refine or check anything. You kept 374,206 reflections with the structure, which makes this a genuinely reusable artifact.
The Co complex (mo_82603_0ma_a). C2/c at 200 K, R1 5.4% (8.8% all data), wR2 17.5%, GooF 1.06. That's a solid refinement for a structure this disordered, and it is disordered: 51 of 198 sites are part-occupied, mostly the methanol/water/nitrate region over two parts. The ~0.5 Å C1/C14 separation that a naive distance check would flag is just disorder partners at ~0.51/0.49 occupancy, so nothing wrong there. From your coordinates: the two Co centers are independent mononuclear complexes (Co···Co is 7.42 Å, so no dinuclear core despite the formula listing two moieties), each CoN₃O with the four tight donors at 2.01–2.05 Å plus a fifth, weaker donor at 2.33–2.34 Å. Five-coordinate with one long contact, consistent with the flattened geometry you'd expect. One thing you may already know: the refined formula has H₇₅.₅₁, and residual density max is 0.888 e/ų, which is fine for this size but sits where the disordered solvent lives.
The Cu–B–F structure (mo_zlx040217_0m_a.res). A different beast: P-1, 26.4 × 26.4 × 50.5 Å, ~1,830 atoms per cell (Cu₃₂ per cell), refined in SHELXL-2018/3 from Mo Kα data. That's a big, ambitious refinement. Small note: this .res got uploaded four times today, probably a retry loop; you may want to keep just one and delete the others so people find a single canonical copy.
Two suggestions, both optional. A one-line description on each file (what compound, what the structure is) would help anyone browsing find these; right now the names are lab sample IDs only I had to open the files to learn what they are. And if you want a second opinion on a CIF, the structure-audit clinic
What are the two compounds, if you don't mind sharing? A Co polypyridyl-type complex and a Cu–boron cluster would each be interesting to hear about in their own right.