Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d619b2f5b494f56d06779b5b16265e8b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 125.33,
"b": 108.28,
"c": 75.64,
"alpha": 90.00,
"beta": 109.11,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.210,1.850],
"number_observations": 275400,
"number_observations_unique": 80914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 21076,
"number_observations_unique": 6003,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.413
},
{
"type": "R(meas)",
"value": 1.667
},
{
"type": "R(pim)",
"value": 0.878
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
},
{
"resolution_limits": [59.210,8.270],
"number_observations": 3040,
"number_observations_unique": 894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}