Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a99f9ccf201c22ad907c48fe8a89dab5",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 89.836,
"b": 89.836,
"c": 106.607,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.800,1.720],
"number_observations": 512085,
"number_observations_unique": 101307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 12.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.720],
"number_observations": 69527,
"number_observations_unique": 16295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.911
},
{
"type": "R(meas)",
"value": 1.043
},
{
"type": "I/SigI",
"value": 1.330
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.523
}
]
},
{
"resolution_limits": [1.960,1.830],
"number_observations": 75019,
"number_observations_unique": 15426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [2.110,1.960],
"number_observations": 76944,
"number_observations_unique": 14313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 5.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.310,2.110],
"number_observations": 68006,
"number_observations_unique": 13239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 8.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.590,2.310],
"number_observations": 63716,
"number_observations_unique": 11950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 13.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.990,2.590],
"number_observations": 55100,
"number_observations_unique": 10529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 19.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.650,2.990],
"number_observations": 47879,
"number_observations_unique": 8880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 30.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.160,3.650],
"number_observations": 35873,
"number_observations_unique": 6901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 38.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [77.800,5.160],
"number_observations": 20018,
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 41.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}