Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa0278d9cf0c73479dea7568b540ed72",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.72,
"b": 87.21,
"c": 125.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.640,1.570],
"number_observations": 464866,
"number_observations_unique": 70942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 32022,
"number_observations_unique": 5166,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.367
},
{
"type": "R(meas)",
"value": 1.493
},
{
"type": "R(pim)",
"value": 0.592
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.467
}
]
},
{
"resolution_limits": [71.640,7.020],
"number_observations": 5750,
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 46.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}