Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7d966beb10f31fc0214444cb2fc7084",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.387,
"b": 89.454,
"c": 100.576,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.840,1.910],
"number_observations": 164098,
"number_observations_unique": 21863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.910],
"number_observations": 16825,
"number_observations_unique": 2757,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.484
},
{
"type": "R(meas)",
"value": 2.869
},
{
"type": "R(pim)",
"value": 1.383
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 81.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [66.840,6.040],
"number_observations": 6347,
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}