Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c42a00505eedbd8ec164d342ddee6368",
"space_group_name": "P 1",
"unit_cell": {
"a": 63.45,
"b": 77.95,
"c": 78.38,
"alpha": 89.95,
"beta": 79.15,
"gamma": 83.97
},
"wavelengths": [0.97855],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.150,1.790],
"number_observations": 532667,
"number_observations_unique": 134886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.790],
"number_observations": 39059,
"number_observations_unique": 9805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [55.150,8.010],
"number_observations": 5442,
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}