Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d824111c24daffba6f615b8931599db4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.282,
"b": 73.275,
"c": 53.035,
"alpha": 90.00,
"beta": 109.85,
"gamma": 90.00
},
"wavelengths": [0.91800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.591,1.300],
"number_observations": 300188,
"number_observations_unique": 76725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 10.810
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.300],
"number_observations": 46337,
"number_observations_unique": 12032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "R(meas)",
"value": 0.755
},
{
"type": "I/SigI",
"value": 1.680
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [1.470,1.380],
"number_observations": 45804,
"number_observations_unique": 11480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 2.470
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [1.590,1.470],
"number_observations": 42171,
"number_observations_unique": 10759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [1.740,1.590],
"number_observations": 38782,
"number_observations_unique": 9959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [1.950,1.740],
"number_observations": 36111,
"number_observations_unique": 9095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.250,1.950],
"number_observations": 31207,
"number_observations_unique": 8080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 15.650
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.750,2.250],
"number_observations": 27418,
"number_observations_unique": 6892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 21.220
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.880,2.750],
"number_observations": 20873,
"number_observations_unique": 5408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 35.410
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.591,3.880],
"number_observations": 11485,
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 47.370
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}