Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e305345680a50d22aef37d136e5ea9a7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.87,
"b": 158.73,
"c": 162.70,
"alpha": 90.00,
"beta": 95.89,
"gamma": 90.00
},
"wavelengths": [1.12720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.690,1.820],
"number_observations": 1705022,
"number_observations_unique": 354924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 127495,
"number_observations_unique": 26146,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.946
},
{
"type": "R(meas)",
"value": 2.179
},
{
"type": "R(pim)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [51.690,8.140],
"number_observations": 19158,
"number_observations_unique": 4165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}