New Entry & Quick Submission

Version 3 added a New Entry button to the welcome page. It opens a dialog that both explains how a submission travels through the repository and offers three ways to start one — including a quick submission wizard that deposits a single characterised compound without opening the ELN.

You need to be signed in for New Entry to appear.

The walkthrough below runs through the whole dialog — the four stages, the three routes, and each step of the quick wizard. It stops short of submitting.

New Entry, from the welcome page through to the analyses step

How a submission works

The dialog opens with a short summary of the path every submission takes:

1. Draft in My Data — the entry is saved to your own collection, where you can keep refining the structure, properties and analyses.
2. Submit for review — you hand it over to the Chemotion reviewers.
3. Review — the reviewers check completeness, data quality and metadata, then approve the entry or return it to you.
4. Publish with a Chemotion ID — only entries that pass review are published and receive a citable identifier.

Attention

Once submitted, the entry is locked and cannot be edited. If changes are needed, the reviewer sends it back to you for modification — see Review Process.

Three ways to start

New Entry — pick how you want to start

Route	What it opens	Best for
Quick sample submission	a three-step wizard, right on the welcome page	a fast single-compound deposit when your spectra are ready
Full reaction editor	the complete reaction form in My Data	full synthetic procedures or multi-step sequences
Full sample editor	the complete sample form in My Data	comprehensive characterisation you will keep refining

The two full editor routes lead into the familiar forms described under Making a New Entry. The rest of this page covers the quick wizard.

Quick submission, step by step

The wizard has three stages — Sample, Author and Analyses — shown as breadcrumbs at the top of the dialog. A stage turns green once it is complete.

Step 1 — Sample

Step 1 — the structure and its basic properties

Provide the structure in one of two ways:

• upload a molfile — .mol, .sdf, .cdx or .cdxml, including a ChemDraw file, or
• type a SMILES string, from which the server generates a molfile.

If you supply a molfile, the SMILES field is ignored.

Before you can continue you must press Verify molecule. The server resolves the structure and reports back the sum formula, the exact mass and the molecular weight, so you can confirm the structure was read as you intended.

After verification the structure is confirmed back to you

The remaining fields on this step are optional except the licence: purity (0–1, defaulting to 1.0), melting point and boiling point in °C, an external label, a free-text description, and the licence your data is published under. Choose the licence carefully and in accordance with the rules of your institution — the options are explained in the FAQ.

Step 2 — Author

Step 2 — contributor, ORCID, affiliations, co-authors and reviewers

As the submitter you are always listed as the first author of the submission. Co-authors are added after you.

This step shows your ORCID and your affiliations as they are currently recorded. The ORCID is validated against orcid.org, and your name must match the ORCID record. Affiliations are maintained under Settings › Affiliations in the user menu; the Refresh button reloads them into the dialog without losing what you have already entered.

Co-authors and reviewers are picked from My Collaborators and added with Add as author or Add as reviewer. Only people already in your collaborator list can be selected, so add them beforehand — see Add your collaborators. The Also include my group leads as authors checkbox adds the group lead(s) you configured under Assign Group Lead.

Step 3 — Analyses

Step 3 — at least one analysis is required

At least one analysis with an attached file is required. The step links to the repository's file standard and analysis content standard — please follow them, as the review checks against these conventions.

Press + Add analysis to open the form for one analysis:

One analysis: type, content, files and instrument

Field	Notes
Type	the analysis method, chosen from the ontology list — required
Content	the description of the measurement, with a rich-text editor — required
Name	optional; defaults to the first filename
Files	a zip archive of raw data, or JCAMP/JDX files — required
Instrument	auto-extracted from the JCAMP/JDX headers where present, otherwise entered by hand — required

Add as many analyses as the compound needs, then press Submit for review to hand the entry over. From here it follows the normal review process.