Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93e79e2fc21f6ecf1956ff2b26456a34",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.593,
"b": 68.715,
"c": 117.119,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.27,1.803],
"number_observations": 110445,
"number_observations_unique": 19136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.867,1.803],
"number_observations": 3713,
"number_observations_unique": 1881,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.116
},
{
"type": "R(meas)",
"value": 1.247
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 46.400
},
{
"type": "Redundancy",
"value": 2
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [59.267,4.768],
"number_observations": 5404,
"number_observations_unique": 1128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 49.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}