Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4437d233ada14e4263c6db0d518b5b6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.659,
"b": 27.527,
"c": 55.667,
"alpha": 90.00,
"beta": 99.36,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.470,1.240],
"number_observations": 153196,
"number_observations_unique": 26107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 74.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.240],
"number_observations": 433,
"number_observations_unique": 251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 9.400
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [27.470,5.420],
"number_observations": 2635,
"number_observations_unique": 423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 57.400
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}