Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99d0ea879668affb339d55e0bd0e44cf",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 74.93,
"b": 74.93,
"c": 228.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.400],
"number_observations_unique": 26436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 20.740
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.846
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.156
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.530,2.460],
"number_observations_unique": 1874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 5.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.112
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "I/SigI",
"value": 6.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.111
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.680,2.600],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 7.560
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.091
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations_unique": 1710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.061
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations_unique": 1660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 11.440
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.998
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.980,2.870],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 13.980
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.932
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.100,2.980],
"number_observations_unique": 1555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 17.090
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.925
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.240,3.100],
"number_observations_unique": 1478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 20.480
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.904
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.390,3.240],
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 24.110
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.809
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.580,3.390],
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 28.180
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.757
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.790,3.580],
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 32.210
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.719
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.060,3.790],
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 36.350
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.696
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.380,4.060],
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 38.470
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.564
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.800,4.380],
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 39.470
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.626
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.370,4.800],
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 40.420
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.551
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.200,5.370],
"number_observations_unique": 865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.575
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.590,6.200],
"number_observations_unique": 758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 40.680
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.326
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.730,7.590],
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 42.680
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.122
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,10.730],
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 41.440
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 6.317
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}