Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6731ffc1d1018b6e96e03b4892f7c503",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 195.839,
"b": 88.729,
"c": 99.881,
"alpha": 90.0,
"beta": 112.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.60],
"number_observations": 226721,
"number_observations_unique": 47927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.4
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.64,2.60],
"number_observations_unique": 2367,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.087
},
{
"type": "R(meas)",
"value": 1.298
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.090
},
{
"type": "R(meas)",
"value": 1.280
},
{
"type": "R(pim)",
"value": 0.657
},
{
"type": "Completeness",
"value": 97.1
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [2.74,2.69],
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.958
},
{
"type": "R(meas)",
"value": 1.113
},
{
"type": "R(pim)",
"value": 0.554
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [2.80,2.74],
"number_observations_unique": 2350,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.005
},
{
"type": "R(meas)",
"value": 1.157
},
{
"type": "R(pim)",
"value": 0.562
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [2.86,2.80],
"number_observations_unique": 2344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.806
},
{
"type": "R(meas)",
"value": 0.925
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [2.93,2.86],
"number_observations_unique": 2324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.822
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "Completeness",
"value": 94.7
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [3.00,2.93],
"number_observations_unique": 2387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.800
},
{
"type": "R(pim)",
"value": 0.348
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [3.08,3.00],
"number_observations_unique": 2406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [3.17,3.08],
"number_observations_unique": 2434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [3.28,3.17],
"number_observations_unique": 2389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.39,3.28],
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.53,3.39],
"number_observations_unique": 2430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.69,3.53],
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.88,3.69],
"number_observations_unique": 2374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.13,3.88],
"number_observations_unique": 2380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.45,4.13],
"number_observations_unique": 2382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.89,4.45],
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.60,4.89],
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.05,5.60],
"number_observations_unique": 2450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.00,7.05],
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}