Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a1f3956fb596fc6e7c3767a092cfc076",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 109.940,
"b": 39.016,
"c": 69.996,
"alpha": 90.00,
"beta": 111.04,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.47,1.18],
"number_observations_unique": 90684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 7.81
},
{
"type": "Completeness",
"value": 99
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.25,1.18],
"number_observations_unique": 11577,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.058
},
{
"type": "R(meas)",
"value": 1.416
},
{
"type": "CC(1/2)",
"value": 0.257
}
]
},
{
"resolution_limits": [1.34,1.25],
"number_observations_unique": 11160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.892
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [1.44,1.34],
"number_observations_unique": 10276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [1.58,1.44],
"number_observations_unique": 9511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.24
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [1.77,1.58],
"number_observations_unique": 8475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.04,1.77],
"number_observations_unique": 7456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.5,2.04],
"number_observations_unique": 5831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.52,2.50],
"number_observations_unique": 4357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [36.47,3.52],
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}