Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "451ceeaf6cbeea9f659eb8bc62daeb9c",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.33,
"b": 83.33,
"c": 133.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.850,2.060],
"number_observations": 669367,
"number_observations_unique": 33826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.060],
"number_observations": 48850,
"number_observations_unique": 2467,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.650
},
{
"type": "R(meas)",
"value": 1.693
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [37.850,9.210],
"number_observations": 6288,
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 62.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}