Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70b66f675a3895161da865137cff56bb",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 145.135,
"b": 145.135,
"c": 122.212,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.510,2.150],
"number_observations": 867680,
"number_observations_unique": 41813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 66268,
"number_observations_unique": 3341,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.004
},
{
"type": "R(meas)",
"value": 5.134
},
{
"type": "R(pim)",
"value": 1.137
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [47.510,9.120],
"number_observations": 11376,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 67.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}