Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a44e9dfe42f461ce5ef95b53a79cb4a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 63.02,
"b": 89.72,
"c": 61.53,
"alpha": 90.00,
"beta": 96.67,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.53,1.670],
"number_observations_unique": 38160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.995
},
{
"type": "R(pim)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.469
}
]
},
{
"resolution_limits": [24.510,7.470],
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 58.9
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}