Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ec41e601cade7ab6d8dfe7a020d7f253",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.678,
"b": 65.233,
"c": 84.325,
"alpha": 90.00,
"beta": 93.49,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.710,1.750],
"number_observations": 229230,
"number_observations_unique": 72801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 28151,
"number_observations_unique": 10917,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.288
},
{
"type": "R(meas)",
"value": 1.627
},
{
"type": "R(pim)",
"value": 0.982
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.413
}
]
},
{
"resolution_limits": [68.710,5.530],
"number_observations": 8126,
"number_observations_unique": 2474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}