Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f4de9f5073957c7c88aab5a44705664",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 134.829,
"b": 134.829,
"c": 134.829,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.6,2.150],
"number_observations": 306499,
"number_observations_unique": 42897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 17.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.14
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.150],
"number_observations": 48967,
"number_observations_unique": 6933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 4.380
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.440,2.280],
"number_observations": 46266,
"number_observations_unique": 6483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.640,2.440],
"number_observations": 43479,
"number_observations_unique": 6069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 9.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.890,2.640],
"number_observations": 39989,
"number_observations_unique": 5577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 14.420
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.230,2.890],
"number_observations": 36337,
"number_observations_unique": 5052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 20.650
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.720,3.230],
"number_observations": 32203,
"number_observations_unique": 4482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 30.650
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.550,3.720],
"number_observations": 26871,
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 37.640
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.410,4.550],
"number_observations": 20917,
"number_observations_unique": 2914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 38.870
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [42.6,6.410],
"number_observations": 11470,
"number_observations_unique": 1630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 40.510
},
{
"type": "Completeness",
"value": 99.600
}
]
}
]
}