Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bcc73978ce906e4dcaf46f94a519ca6f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.583,
"b": 84.736,
"c": 88.529,
"alpha": 90.00,
"beta": 131.23,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.590,1.320],
"number_observations": 737017,
"number_observations_unique": 125525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.320],
"number_observations": 11464,
"number_observations_unique": 4558,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.144
},
{
"type": "R(meas)",
"value": 1.409
},
{
"type": "R(pim)",
"value": 0.803
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 18.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [66.590,4.160],
"number_observations": 36706,
"number_observations_unique": 5417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 77.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}