Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96ce6eb5ab588591ad735ff2c9f86cca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.28,
"b": 60.35,
"c": 65.00,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.700,1.650],
"number_observations": 147555,
"number_observations_unique": 23208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 9019,
"number_observations_unique": 1654,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.117
},
{
"type": "R(meas)",
"value": 1.237
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.645
}
]
},
{
"resolution_limits": [37.700,7.380],
"number_observations": 1676,
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}