Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef3db71da96539eb2dbc1d2e2f01d16b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.142,
"b": 64.121,
"c": 100.485,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.30],
"number_observations_unique": 18048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.34,2.30],
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 2.86
},
{
"type": "Completeness",
"value": 77.3
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [2.38,2.34],
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 3.17
},
{
"type": "Completeness",
"value": 91.9
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
}
]
}