Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc07a85038af15f85751ae171000ad3f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.488,
"b": 45.322,
"c": 58.520,
"alpha": 90.00,
"beta": 96.89,
"gamma": 90.00
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.91,1.920],
"number_observations_unique": 23406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 3372,
"number_observations_unique": 1504,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.070
},
{
"type": "R(meas)",
"value": 1.362
},
{
"type": "R(pim)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.320
}
]
},
{
"resolution_limits": [43.870,9.010],
"number_observations": 775,
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}