Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d1981a9e01000370eff76f320b01975",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 244.317,
"b": 64.504,
"c": 147.586,
"alpha": 90.00,
"beta": 115.74,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.030,2.380],
"number_observations": 274154,
"number_observations_unique": 83417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.380],
"number_observations": 20585,
"number_observations_unique": 6097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.868
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.631
}
]
},
{
"resolution_limits": [110.030,10.640],
"number_observations": 3106,
"number_observations_unique": 1013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}