Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5533decfd6b68afe86975f870bd1f098",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.453,
"b": 56.548,
"c": 101.833,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.740],
"number_observations": 224179,
"number_observations_unique": 33788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.740],
"number_observations": 16347,
"number_observations_unique": 2409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.875
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [29.100,7.760],
"number_observations": 2726,
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 81.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}