Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f098f6f855065effcc27723a09b9bd3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.166,
"b": 53.234,
"c": 46.001,
"alpha": 90.00,
"beta": 102.55,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.030,1.850],
"number_observations": 158821,
"number_observations_unique": 23131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 9192,
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.979
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [48.030,9.060],
"number_observations": 1410,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}