Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17d0a8c7baa54aa36731ba6d40079ea8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.075,
"b": 53.350,
"c": 45.944,
"alpha": 90.00,
"beta": 102.34,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.450,1.800],
"number_observations": 242350,
"number_observations_unique": 25137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 13172,
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.122
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [34.450,9.000],
"number_observations": 2170,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}