This page describes the commun particularities for the Synthesis Reaction tests

Summary

ELN Data

The following tables, extracted from the ELN spreadsheets, are used for the enrichment of the raw data.

These files are available on :

synthesis_raw_data_link

This table lists the links for the raw data files that need to be extracted from the Lab servers for each sample_id. It is used by the Python scripts download_synthesis_*.py (* stands for the scale: 25L, 80L, 170L, 2500L). It contains the following fields:

• unique_id
• study_id
• sample_id
• synthesis_file_link
• synthesis_equipment_name (indicates the scale of the reactor)
• synthesis_mode

synthesis_eln_data

This table describes the products and components that were included in the Initial Setup, but also the raw materials that were used for each sample_id and that are not present in the Initial Setup (in this case, the quantity is set to 0 or left empty). It is used by the Python scripts compute_synthesis_*.py (* stands for the scale: 25L, 80L, 170L, 2500L). It contains the following fields:

• unique_id
• study_id
• sample_id
• product_label
• quantity_kg
• density_g_l
• product_form
• rp
• component_label
• quantity_w_prct (concentration)
• synthesis_equipment_name
• synthesis_mode

operating_procedure

This table contains information about the changements in the pump activity during the reaction process. It is used by the Python scripts compute_synthesis_*.py (* stands for the scale: 25L, 80L, 170L, 2500L). It contains the following fields:

• unique_id
• study_id
• sample_id
• synthesis_step_index
• change_to_product
• comment
• date_time
• pump_id

Raw data

Raw data files are extracted for the following reactors: 25L, 80L, 170L, 2500L. Raw data files structure is different for each scale. Therefore, the parsing of the raw data files and the computations for each scale are handled by different python scripts. This process and files are described in detail on each test page.