Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1de2257818270f94ecdaa1f70c24788",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.330,
"b": 86.330,
"c": 141.729,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.330,1.660],
"number_observations": 681939,
"number_observations_unique": 123383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations": 34015,
"number_observations_unique": 6056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [86.330,9.090],
"number_observations": 5417,
"number_observations_unique": 882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
}
]
}