Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0253089fa9b78fda1338600803ab2307",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 43.749,
"b": 43.749,
"c": 245.737,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07810,1.28240,1.28310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.430,2.000],
"number_observations_unique": 17105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.603
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(meas)",
"value": 1.041
},
{
"type": "I/SigI",
"value": 2.520
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.409
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.793
},
{
"type": "I/SigI",
"value": 3.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.813
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(meas)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 4.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.811
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations_unique": 1136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 5.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.786
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 5.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.815
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations_unique": 1067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.799
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.787
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 10.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.721
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.830
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.673
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations_unique": 879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 17.730
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.767
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 21.090
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.646
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations_unique": 792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 27.210
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.572
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 35.830
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.525
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.450
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.363
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 44.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.315
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations_unique": 563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.640
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.210
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.330,5.160],
"number_observations_unique": 488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 39.770
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 7.016
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.940,6.330],
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 47.690
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.802
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [61.430,8.940],
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 49.610
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.770
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}