Sirius Export#

STANDALONE POSTPROCESSING

Functionality#

Write Summary files from a given project-space into the given project-space or a custom location.

Options#

Option

Description

-c, --zip, --compress

Summaries will be written into a compressed zip archive. This parameter will be ignored if the summary is written into the project-space.

--[no-]full-summary

Write project-wide summary files with ALL Hits. (Use with care! Might create large files and consume large amounts of memory for large projects.)

-h, --help

Show this help message and exit.

--[no-]top-hit-summary

Write project-wide summary files with all Top Hits.

-o, --output=<location>

Specify location (outside the project) for writing summary files. Per default summaries are written to the project-space.

--[no-]top-hit-adduct-summary

Write project-wide summary files with all Top Hits and their adducts.

-V, --version

Print version information and exit.

--all

Output all predicted CSI:FingerID and CANOPUS probabilities (sets –fingerprints, –classyfire, –npc).

--classyfire

Output predicted classyfire probabilities by CANOPUS.

--fingerprint, --fingerprints

Output predicted fingerprint probabilities by CSI: FingerID.

--maccs

Output predicted MACCS fingerprint probabilities by CSI:FingerID (subset of –fingerprint).

--npc

Output predicted NPC (natural product classifier) probabilities by CANOPUS.

-p, --digits, --precision=<digits>

Specify the number of digits used for printing floating-point values. -1 -> full-length Double value. Default: -1.

--pubchem

Output predicted PubChem fingerprint probabilities by CSI:FingerID (subset of –fingerprint).