Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a42b8f3b37aae35493cb0d3b4fe9f4f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 4.82,
"b": 20.48,
"c": 45.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [7.619,1.100],
"number_observations": 5536,
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 4.290
},
{
"type": "Completeness",
"value": 66.900
},
{
"type": "Redundancy",
"value": 3.810
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.140,1.100],
"number_observations": 554,
"number_observations_unique": 145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 1.410
},
{
"type": "Completeness",
"value": 68.400
},
{
"type": "Redundancy",
"value": 3.821
},
{
"type": "CC(1/2)",
"value": 0.533
}
]
},
{
"resolution_limits": [1.180,1.140],
"number_observations": 619,
"number_observations_unique": 148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "R(meas)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 1.990
},
{
"type": "Completeness",
"value": 70.800
},
{
"type": "Redundancy",
"value": 4.182
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [1.230,1.180],
"number_observations": 479,
"number_observations_unique": 133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "R(meas)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 1.960
},
{
"type": "Completeness",
"value": 70.000
},
{
"type": "Redundancy",
"value": 3.602
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [1.280,1.230],
"number_observations": 375,
"number_observations_unique": 107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 2.870
},
{
"type": "Completeness",
"value": 62.900
},
{
"type": "Redundancy",
"value": 3.505
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [1.350,1.280],
"number_observations": 394,
"number_observations_unique": 109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 3.060
},
{
"type": "Completeness",
"value": 66.500
},
{
"type": "Redundancy",
"value": 3.615
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [1.420,1.350],
"number_observations": 457,
"number_observations_unique": 113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 66.900
},
{
"type": "Redundancy",
"value": 4.044
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [1.510,1.420],
"number_observations": 456,
"number_observations_unique": 111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 4.320
},
{
"type": "Completeness",
"value": 66.100
},
{
"type": "Redundancy",
"value": 4.108
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [1.610,1.510],
"number_observations": 522,
"number_observations_unique": 120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 5.950
},
{
"type": "Completeness",
"value": 70.600
},
{
"type": "Redundancy",
"value": 4.350
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.740,1.610],
"number_observations": 265,
"number_observations_unique": 77,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 60.600
},
{
"type": "Redundancy",
"value": 3.442
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.910,1.740],
"number_observations": 264,
"number_observations_unique": 76,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 5.880
},
{
"type": "Completeness",
"value": 60.800
},
{
"type": "Redundancy",
"value": 3.474
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.130,1.910],
"number_observations": 334,
"number_observations_unique": 88,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 6.710
},
{
"type": "Completeness",
"value": 71.500
},
{
"type": "Redundancy",
"value": 3.795
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.460,2.130],
"number_observations": 358,
"number_observations_unique": 88,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 7.730
},
{
"type": "Completeness",
"value": 71.500
},
{
"type": "Redundancy",
"value": 4.068
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.010,2.460],
"number_observations": 165,
"number_observations_unique": 52,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 60.500
},
{
"type": "Redundancy",
"value": 3.173
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [4.260,3.010],
"number_observations": 194,
"number_observations_unique": 58,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 68.200
},
{
"type": "Redundancy",
"value": 3.345
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [7.619,4.260],
"number_observations": 100,
"number_observations_unique": 28,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 8.020
},
{
"type": "Completeness",
"value": 53.800
},
{
"type": "Redundancy",
"value": 3.571
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}