Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c8cbed674141ef3ea07803f3bda452f",
"space_group_name": "P 1",
"unit_cell": {
"a": 40.753,
"b": 47.359,
"c": 54.623,
"alpha": 68.15,
"beta": 89.83,
"gamma": 65.98
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.850,2.300],
"number_observations": 31664,
"number_observations_unique": 14585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 2617,
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.601
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [39.850,8.910],
"number_observations": 548,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}