Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16cb8174c20fbc962be42605e31561d2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.84,
"b": 111.17,
"c": 99.27,
"alpha": 90.00,
"beta": 101.87,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.900,1.600],
"number_observations": 842708,
"number_observations_unique": 216586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.891
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 61979,
"number_observations_unique": 15965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.606
},
{
"type": "R(meas)",
"value": 0.703
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.882
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [1.690,1.640],
"number_observations": 60702,
"number_observations_unique": 15617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "I/SigI",
"value": 2.590
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.887
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [1.740,1.690],
"number_observations": 59168,
"number_observations_unique": 15199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 3.370
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.893
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 57306,
"number_observations_unique": 14682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.903
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 55812,
"number_observations_unique": 14304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.902
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.910,1.850],
"number_observations": 53971,
"number_observations_unique": 13824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 7.360
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.904
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.980,1.910],
"number_observations": 52018,
"number_observations_unique": 13301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.911
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.070,1.980],
"number_observations": 50015,
"number_observations_unique": 12778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.914
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.160,2.070],
"number_observations": 48054,
"number_observations_unique": 12273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 13.670
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.915
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.260,2.160],
"number_observations": 45902,
"number_observations_unique": 11770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 15.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.390,2.260],
"number_observations": 43535,
"number_observations_unique": 11155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 17.860
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.903
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.530,2.390],
"number_observations": 41363,
"number_observations_unique": 10605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 19.560
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.700,2.530],
"number_observations": 38750,
"number_observations_unique": 9959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 21.340
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.891
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.920,2.700],
"number_observations": 36065,
"number_observations_unique": 9292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 23.240
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.881
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.200,2.920],
"number_observations": 33056,
"number_observations_unique": 8533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 24.920
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.874
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.580,3.200],
"number_observations": 29773,
"number_observations_unique": 7732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 26.620
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.851
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.130,3.580],
"number_observations": 26450,
"number_observations_unique": 6851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 27.680
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.861
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.060,4.130],
"number_observations": 22355,
"number_observations_unique": 5763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 28.390
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.879
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.160,5.060],
"number_observations": 17481,
"number_observations_unique": 4523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 28.190
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.865
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.900,7.160],
"number_observations": 8953,
"number_observations_unique": 2460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 28.020
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.639
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}