Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "857b7f8932afa3818d650ca71f6b7822",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.048,
"b": 70.135,
"c": 85.611,
"alpha": 103.03,
"beta": 96.20,
"gamma": 112.29
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.410,2.380],
"number_observations": 160389,
"number_observations_unique": 47205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.380],
"number_observations": 13956,
"number_observations_unique": 4545,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.737
},
{
"type": "R(meas)",
"value": 2.156
},
{
"type": "R(pim)",
"value": 1.249
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.290
}
]
},
{
"resolution_limits": [81.410,9.210],
"number_observations": 3091,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}