Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "591699223a7bd5fbffc6411c9db306c3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.878,
"b": 68.365,
"c": 138.528,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.520,2.000],
"number_observations": 246828,
"number_observations_unique": 43259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 7956,
"number_observations_unique": 2558,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.253
},
{
"type": "R(meas)",
"value": 1.522
},
{
"type": "R(pim)",
"value": 0.836
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 80.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [138.520,8.950],
"number_observations": 3298,
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
}
]
}