Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a3bb1a2197131f0bf31098b3590e44e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.727,
"b": 49.748,
"c": 114.706,
"alpha": 90.00,
"beta": 94.95,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.320,2.380],
"number_observations": 126697,
"number_observations_unique": 36858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.380],
"number_observations": 11964,
"number_observations_unique": 3720,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.156
},
{
"type": "R(meas)",
"value": 1.388
},
{
"type": "R(pim)",
"value": 0.761
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [114.320,8.900],
"number_observations": 2381,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 53.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}