Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e429dd426bc9abd62d69f4234a90ab53",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.590,
"b": 60.600,
"c": 79.765,
"alpha": 90.0,
"beta": 93.8,
"gamma": 90.0
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.690,1.420],
"number_observations": 277580,
"number_observations_unique": 80866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.420],
"number_observations": 12750,
"number_observations_unique": 3821,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.408
},
{
"type": "R(meas)",
"value": 1.675
},
{
"type": "R(pim)",
"value": 0.898
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.338
}
]
},
{
"resolution_limits": [46.690,7.780],
"number_observations": 1673,
"number_observations_unique": 543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}