Skip to content

Commit

Permalink
Update characterization.mdx
Browse files Browse the repository at this point in the history
  • Loading branch information
nicolejung authored Oct 22, 2023
1 parent cf5589a commit 393a1ae
Showing 1 changed file with 5 additions and 4 deletions.
9 changes: 5 additions & 4 deletions docs/repo/details_standards/characterization.mdx
Original file line number Diff line number Diff line change
Expand Up @@ -4,22 +4,23 @@ author: Nicole Jung
sidebar_position: 1
---

**How to find and apply information for required standards in chemotion repository**
**How to find and apply information for required standards in chemotion repository**<br />
The <i>page general topics</i> describes the overall idea of how to deal with data in chemotion repository. This page does not contain details on how to deal with analytical data or how to describe certain types of data. This detailed information can be found at the page "details and standards for analyses" and subpages belonging to it. It does not give information on the data files and types that are supported or need to be provided - this information is part of the section "details and standards for data types" in this documentation.

**What kind of data should be or can be provided**
**What kind of data should be or can be provided**<br />
The Chemotion repository was established to store comprehensive information wherever available. If chemical reactions were done, please provide the information on the reaction and the target compounds (including their characterization). Only if the process description is not available or not relevant (e.g. for commercial compounds) sample only data should be submitted. In general, the repository should be used to provide information on scientific processes and their outcome with the full description of both.

**Description of processes such as chemical reactions**
**Description of processes such as chemical reactions**<br />
Chemical reactions and all other processes need to be described in a way that others with a basic domain knowledge can repeat the work. This means that each step of the work needs to be described sufficiently with all relevat details. Information on weigths, temperatures, durations etc need to be given in explicit numbers/values.

**Charaterization of compounds**
**Characerization of compounds**<br />

<b>New compounds:</b> New compounds (not literature known compounds) must be provided with analytical data that adequately approve the identity and degree of purity (homogeneity) of the compound. <br />
<b>Known compounds</b> that exist in the Chemotion repository: At least one evidence for the identity and purity of the compound must be provided. A combination of 1H or 13C NMR and mass spec is desired.<br />
<b>Known compounds</b> that do not exist in the Chemotion repository: please provide analytical data that adequately approves the identity and degree of purity (homogeneity) of the compound. <br />
Details describing the required data are given in the section "Analyses". <br />


:::info Hint
Please provide at least all data that is usually given in a Supplemental Information for publications. For compounds that are literature known but not described in the Chemotion repository, please add all data that you have - to provide a complete dataset for the community.
:::
Expand Down

0 comments on commit 393a1ae

Please sign in to comment.