Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "465ba3b53933b18391a49f8a720a5ecb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.190,
"b": 44.056,
"c": 91.845,
"alpha": 90.0,
"beta": 107.6,
"gamma": 90.0
},
"wavelengths": [0.88000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.770,2.000],
"number_observations_unique": 29757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 6789,
"number_observations_unique": 2070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "R(meas)",
"value": 1.021
},
{
"type": "R(pim)",
"value": 0.550
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [29.770,8.950],
"number_observations": 1100,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.600
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}