Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e55c83fc675698a86b674950eb1e4141",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.14,
"b": 64.52,
"c": 129.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97702],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.51],
"number_observations_unique": 56384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 20.41
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.57,1.51],
"number_observations_unique": 5625,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.986
},
{
"type": "R(meas)",
"value": 4.141
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [1.62,1.57],
"number_observations_unique": 4902,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.66
},
{
"type": "R(meas)",
"value": 2.763
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [1.73,1.62],
"number_observations_unique": 8040,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.73
},
{
"type": "R(meas)",
"value": 1.798
},
{
"type": "CC(1/2)",
"value": 0.8759999999999999
}
]
},
{
"resolution_limits": [8.0,1.73],
"number_observations_unique": 37356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044000000000000004
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [14.0,8.00],
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.02
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [17.0,14.00],
"number_observations_unique": 39,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027999999999999997
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.0,17.00],
"number_observations_unique": 58,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027000000000000003
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}