Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "693ff3b997f2eff8ac3ed7cd8a3c8942",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 182.669,
"b": 145.470,
"c": 251.397,
"alpha": 90.00,
"beta": 109.77,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.050,3.800],
"number_observations": 702900,
"number_observations_unique": 120767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.860,3.800],
"number_observations": 35850,
"number_observations_unique": 5970,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.871
},
{
"type": "R(pim)",
"value": 0.808
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.501
}
]
},
{
"resolution_limits": [49.050,20.810],
"number_observations": 3851,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 29.100
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}