Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0583b7fd11caa8a68f68ee7f4cae696f",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 173.189,
"b": 173.189,
"c": 153.301,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.960,3.300],
"number_observations": 299347,
"number_observations_unique": 40311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.430,3.300],
"number_observations": 33451,
"number_observations_unique": 4477,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.081
},
{
"type": "R(meas)",
"value": 1.159
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [37.960,11.900],
"number_observations": 6166,
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}