Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55b2d7e8ea79b1a2a1aba33c422faccf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 142.697,
"b": 181.685,
"c": 117.625,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.570,2.070],
"number_observations": 861781,
"number_observations_unique": 174875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.070],
"number_observations": 38349,
"number_observations_unique": 8602,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.159
},
{
"type": "R(meas)",
"value": 1.340
},
{
"type": "R(pim)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [47.570,11.340],
"number_observations": 6042,
"number_observations_unique": 1116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 49.400
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}