Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ee011b991a2d3431d52b2268fb8ce666",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.33,
"b": 82.33,
"c": 134.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.100,2.300],
"number_observations": 474264,
"number_observations_unique": 24038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 36165,
"number_observations_unique": 1756,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.338
},
{
"type": "R(meas)",
"value": 2.397
},
{
"type": "R(pim)",
"value": 0.526
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [35.100,10.290],
"number_observations": 4129,
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}