Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "389497e3f10ce2b2ae2330f909226cf6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.561,
"b": 54.055,
"c": 74.793,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.75,1.260],
"number_observations": 228727,
"number_observations_unique": 36410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.282
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.260],
"number_observations": 17147,
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.187
},
{
"type": "R(meas)",
"value": 1.289
},
{
"type": "I/SigI",
"value": 1.510
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.493
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [1.330,1.290],
"number_observations": 16647,
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.012
},
{
"type": "R(meas)",
"value": 1.100
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.488
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [1.370,1.330],
"number_observations": 16145,
"number_observations_unique": 2536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.889
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "I/SigI",
"value": 2.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.366
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [1.410,1.370],
"number_observations": 15448,
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.760
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.313
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [1.450,1.410],
"number_observations": 14118,
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 3.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.990
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 14011,
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.970
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.021
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [1.560,1.510],
"number_observations": 14584,
"number_observations_unique": 2203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.620
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.630,1.560],
"number_observations": 14127,
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.534
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.700,1.630],
"number_observations": 13358,
"number_observations_unique": 2049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.519
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.780,1.700],
"number_observations": 12472,
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 11.570
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.383
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.880,1.780],
"number_observations": 11214,
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 14.530
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.936
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.990,1.880],
"number_observations": 10924,
"number_observations_unique": 1786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 19.290
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.116
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.130,1.990],
"number_observations": 10865,
"number_observations_unique": 1669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 23.390
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.510
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.300,2.130],
"number_observations": 9985,
"number_observations_unique": 1571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 26.140
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.356
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.520,2.300],
"number_observations": 8946,
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 27.420
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.161
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.820,2.520],
"number_observations": 7491,
"number_observations_unique": 1314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 28.570
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.701
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.250,2.820],
"number_observations": 7549,
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 32.240
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.344
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.980,3.250],
"number_observations": 6349,
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.311
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.630,3.980],
"number_observations": 4522,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 33.740
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.610
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [30.750,5.630],
"number_observations": 2825,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.420
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.825
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}