Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56b40beda984bf2577cbc01cdb8865a4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 77.31,
"b": 116.85,
"c": 61.97,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82660],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.680,1.250],
"number_observations": 528663,
"number_observations_unique": 77540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 15.740
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.818
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.250],
"number_observations_unique": 8516,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.382
},
{
"type": "R(meas)",
"value": 1.496
},
{
"type": "I/SigI",
"value": 1.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.837
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [1.500,1.300],
"number_observations_unique": 23837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.820
},
{
"type": "R(meas)",
"value": 0.888
},
{
"type": "I/SigI",
"value": 2.810
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.782
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [2.000,1.500],
"number_observations_unique": 25902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 10.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.844
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.000,2.000],
"number_observations_unique": 17979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 43.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.858
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [10.000,5.000],
"number_observations_unique": 1151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 75.660
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.443
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 82.530
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.116
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}