Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dac7e6d90801358c9f88acf142537483",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 72.548,
"b": 103.224,
"c": 87.043,
"alpha": 90.00,
"beta": 101.55,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.909,2.190],
"number_observations_unique": 120584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 8.950
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.442
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.190],
"number_observations": 30674,
"number_observations_unique": 9574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "R(meas)",
"value": 0.977
},
{
"type": "I/SigI",
"value": 1.560
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.204
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [2.480,2.320],
"number_observations": 34307,
"number_observations_unique": 9652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "I/SigI",
"value": 2.620
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.554
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [2.680,2.480],
"number_observations": 31541,
"number_observations_unique": 8983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "R(meas)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.511
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [2.940,2.680],
"number_observations": 27280,
"number_observations_unique": 8178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 6.230
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.336
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [3.280,2.940],
"number_observations": 27134,
"number_observations_unique": 7503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 9.880
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.616
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [3.790,3.280],
"number_observations": 23417,
"number_observations_unique": 6645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 15.080
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.524
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [4.630,3.790],
"number_observations": 18707,
"number_observations_unique": 5535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 19.720
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.380
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [6.520,4.630],
"number_observations": 15672,
"number_observations_unique": 4377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.581
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [49.909,6.520],
"number_observations": 7718,
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 23.990
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.158
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}