Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c16f0f971997a1b548212cee48c23bb",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 96.62,
"b": 96.62,
"c": 147.10,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.12713],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.310,2.980],
"number_observations": 338579,
"number_observations_unique": 16789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.277
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.060,2.980],
"number_observations": 25460,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.890
},
{
"type": "R(meas)",
"value": 1.936
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [48.310,13.330],
"number_observations": 3658,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}