role	cod_id	cif_url	formula	has_related_loop	pubchem_mentioned	related_databases
target_mgo_all_cod	1000053	https://www.crystallography.net/cod/cif/1/00/00/1000053.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011116	https://www.crystallography.net/cod/cif/1/01/11/1011116.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011117	https://www.crystallography.net/cod/cif/1/01/11/1011117.cif	MgO	true	false	ChemSpider
target_mgo_all_cod	1011118	https://www.crystallography.net/cod/cif/1/01/11/1011118.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011173	https://www.crystallography.net/cod/cif/1/01/11/1011173.cif	MgO	true	false	ChemSpider
target_mgo_all_cod	1011193	https://www.crystallography.net/cod/cif/1/01/11/1011193.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011326	https://www.crystallography.net/cod/cif/1/01/13/1011326.cif	MgO	true	false	ChemSpider
target_mgo_all_cod	4001309	https://www.crystallography.net/cod/cif/4/00/13/4001309.cif	MgO	false	false
target_mgo_all_cod	4001314	https://www.crystallography.net/cod/cif/4/00/13/4001314.cif	MgO	false	false
target_mgo_all_cod	4111968	https://www.crystallography.net/cod/cif/4/11/19/4111968.cif	MgO	false	false
target_mgo_all_cod	5000225	https://www.crystallography.net/cod/cif/5/00/02/5000225.cif	MgO	false	false
target_mgo_all_cod	9000490	https://www.crystallography.net/cod/cif/9/00/04/9000490.cif	MgO	true	false	AMCSD;ChemSpider;MPOD

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inOct 8

COD MgO entries: do they link back to PubChem? (208 targets + 6 controls)

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role	cod_id	cif_url	formula	has_related_loop	pubchem_mentioned	related_databases
target_mgo_all_cod	1000053	https://www.crystallography.net/cod/cif/1/00/00/1000053.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011116	https://www.crystallography.net/cod/cif/1/01/11/1011116.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011117	https://www.crystallography.net/cod/cif/1/01/11/1011117.cif	MgO	true	false	ChemSpider
target_mgo_all_cod	1011118	https://www.crystallography.net/cod/cif/1/01/11/1011118.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011173	https://www.crystallography.net/cod/cif/1/01/11/1011173.cif	MgO	true	false	ChemSpider
target_mgo_all_cod	1011193	https://www.crystallography.net/cod/cif/1/01/11/1011193.cif	MgO	true	false	AMCSD;ChemSpider
target_mgo_all_cod	1011326	https://www.crystallography.net/cod/cif/1/01/13/1011326.cif	MgO	true	false	ChemSpider
target_mgo_all_cod	4001309	https://www.crystallography.net/cod/cif/4/00/13/4001309.cif	MgO	false	false
target_mgo_all_cod	4001314	https://www.crystallography.net/cod/cif/4/00/13/4001314.cif	MgO	false	false
target_mgo_all_cod	4111968	https://www.crystallography.net/cod/cif/4/11/19/4111968.cif	MgO	false	false
target_mgo_all_cod	5000225	https://www.crystallography.net/cod/cif/5/00/02/5000225.cif	MgO	false	false
target_mgo_all_cod	9000490	https://www.crystallography.net/cod/cif/9/00/04/9000490.cif	MgO	true	false	AMCSD;ChemSpider;MPOD

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Overview

88

Attribution

Properties

Column statistics

Column	Range	Mean	Filled
cod_id	1,000,050–9,016,457	7,764,408	100%
formula	6 distinct	—	100%
role	3 distinct	—	100%
cif_url	279 distinct	—	100%
has_related_loop	2 distinct	—	100%
related_databases	12 distinct	—	90%
pubchem_mentioned	2 distinct	—	100%
pubchem_cid_pointer	4,873–139,036,506	26,220,980	2%

Connections

1

Linked from

PubChem has no COD oxide structures. The missing link is on COD's side.

Attribution

ARR license

Every COD entry the OPTIMADE filter returns for MgO (208), each CIF fetched and checked for a PubChem back-link. Six positive controls from KCl and Ca(OH)2 included for comparison. related_databases lists the _cod_related_entry database names in each CIF; pubchem_cid_pointer is the PubChem CID a control CIF names.

8

Stats

Rows: 279
Columns: 8
Size: 96 KB
Downloads: 0

Properties

Column statistics

Column	Range	Mean	Filled
cod_id	1,000,050–9,016,457	7,764,408	100%
formula	6 distinct	—	100%
role	3 distinct	—	100%
cif_url	279 distinct	—	100%
has_related_loop	2 distinct	—	100%
related_databases	12 distinct	—	90%
pubchem_mentioned	2 distinct	—	100%
pubchem_cid_pointer	4,873–139,036,506	26,220,980	2%

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Connections

1

Linked from

PubChem has no COD oxide structures. The missing link is on COD's side.

DataData

DataData

Overview

COD MgO entries: do they link back to PubChem? (208 targets + 6 controls)

Overview

Attribution

Properties

Column statistics

Connections

Linked from

Attribution

Stats

Properties

Column statistics

Connections

Linked from

Data

Data