Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44b34e36003282d46bbbf2dded0a395c",
"space_group_name": "P 61",
"unit_cell": {
"a": 98.403,
"b": 98.403,
"c": 81.574,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.12723],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.77,1.68],
"number_observations_unique": 50730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 25.27
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.4
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.79,1.68],
"number_observations_unique": 16115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.819
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [1.91,1.79],
"number_observations_unique": 15209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "CC(1/2)",
"value": 0.95
}
]
},
{
"resolution_limits": [2.06,1.91],
"number_observations_unique": 14142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.25
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.26,2.06],
"number_observations_unique": 12976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.52,2.26],
"number_observations_unique": 11774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.91,2.52],
"number_observations_unique": 10411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.57,2.91],
"number_observations_unique": 8749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.03,3.57],
"number_observations_unique": 6774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [37.77,5.03],
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}