Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be9a65387df343a049c7b09cf3310b96",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 100.116,
"b": 100.116,
"c": 98.988,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.060,1.490],
"number_observations": 271905,
"number_observations_unique": 31261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 13716,
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.286
},
{
"type": "R(meas)",
"value": 1.411
},
{
"type": "R(pim)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [50.060,6.660],
"number_observations": 3443,
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 64.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}