Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2906ce6ea786bda674fb76f379b6853f",
"space_group_name": "P 1",
"unit_cell": {
"a": 47.43,
"b": 57.62,
"c": 59.67,
"alpha": 88.24,
"beta": 111.68,
"gamma": 92.48
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.190,2.040],
"number_observations": 133449,
"number_observations_unique": 34789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.380
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.836
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.040],
"number_observations": 21168,
"number_observations_unique": 5752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 3.680
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.350,2.180],
"number_observations": 22269,
"number_observations_unique": 5747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.875
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.540,2.350],
"number_observations": 18706,
"number_observations_unique": 4815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 8.860
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.885
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.780,2.540],
"number_observations": 16919,
"number_observations_unique": 4337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 10.590
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.901
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.100,2.780],
"number_observations": 15269,
"number_observations_unique": 3917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 12.870
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.898
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.570,3.100],
"number_observations": 13764,
"number_observations_unique": 3547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 18.670
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.880
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.350,3.570],
"number_observations": 11580,
"number_observations_unique": 3009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 26.710
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 3.848
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.050,4.350],
"number_observations": 8851,
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 28.290
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.786
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [19.190,6.050],
"number_observations": 4923,
"number_observations_unique": 1327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 30.510
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 3.710
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}