Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7bb8822b7d938e4f5fefdbde82024cd3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.482,
"b": 64.224,
"c": 74.439,
"alpha": 90.00,
"beta": 125.95,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.550,2.300],
"number_observations": 81510,
"number_observations_unique": 19884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 7667,
"number_observations_unique": 1881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.778
},
{
"type": "R(meas)",
"value": 0.897
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [47.550,8.890],
"number_observations": 1342,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}