Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dce243ca55cb512a7938bfda6901ca69",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.345,
"b": 47.283,
"c": 46.445,
"alpha": 90.00,
"beta": 103.79,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.280,1.580],
"number_observations": 48845,
"number_observations_unique": 14984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 2082,
"number_observations_unique": 702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [47.280,8.660],
"number_observations": 331,
"number_observations_unique": 102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 59.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}