Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62c56c5e089b0aa60489c62c668d2885",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 141.484,
"b": 141.484,
"c": 141.484,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.840,2.400],
"number_observations": 112700,
"number_observations_unique": 18526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 10.850
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.083
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 8364,
"number_observations_unique": 1372,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.429
},
{
"type": "R(meas)",
"value": 1.564
},
{
"type": "I/SigI",
"value": 1.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.096
},
{
"type": "CC(1/2)",
"value": 0.590
}
]
},
{
"resolution_limits": [2.530,2.460],
"number_observations": 8073,
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.150
},
{
"type": "R(meas)",
"value": 1.258
},
{
"type": "I/SigI",
"value": 1.860
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.139
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations": 8053,
"number_observations_unique": 1299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.873
},
{
"type": "R(meas)",
"value": 0.953
},
{
"type": "I/SigI",
"value": 2.560
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.199
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [2.680,2.600],
"number_observations": 7603,
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.739
},
{
"type": "R(meas)",
"value": 0.808
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.207
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 7620,
"number_observations_unique": 1231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "R(meas)",
"value": 0.661
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.190
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations": 7228,
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 4.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.274
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.980,2.870],
"number_observations": 7094,
"number_observations_unique": 1128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.289
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [3.100,2.980],
"number_observations": 6871,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.286
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.240,3.100],
"number_observations": 6523,
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.212
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.390,3.240],
"number_observations": 6311,
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 11.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.212
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.580,3.390],
"number_observations": 5796,
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 15.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.063
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.800,3.580],
"number_observations": 5478,
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 17.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.026
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.060,3.800],
"number_observations": 5040,
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 20.290
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.895
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.380,4.060],
"number_observations": 4678,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 21.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.855
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.800,4.380],
"number_observations": 4185,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.733
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.370,4.800],
"number_observations": 3868,
"number_observations_unique": 673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 23.940
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.747
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.200,5.370],
"number_observations": 3522,
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.899
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.590,6.200],
"number_observations": 2953,
"number_observations_unique": 506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 25.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.836
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.740,7.590],
"number_observations": 2278,
"number_observations_unique": 400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 26.980
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.695
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.840,10.740],
"number_observations": 1162,
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 26.410
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 5.282
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}