Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c5407669ede8dd4172cf8f5e2c75250",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.71,
"b": 45.36,
"c": 83.39,
"alpha": 90.00,
"beta": 102.23,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.750,1.490],
"number_observations": 256251,
"number_observations_unique": 74943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.490],
"number_observations": 17657,
"number_observations_unique": 5475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [40.750,6.660],
"number_observations": 3165,
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}