Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1b97976e5c7c65443952aa270db99b9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.03,
"b": 107.79,
"c": 89.44,
"alpha": 90.00,
"beta": 98.29,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.510,2.000],
"number_observations": 906103,
"number_observations_unique": 189973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.770
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 13284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 4.531
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [2.100,2.050],
"number_observations_unique": 13762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.765
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [2.170,2.100],
"number_observations_unique": 13242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.552
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.230,2.170],
"number_observations_unique": 12896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 4.160
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.658
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.300,2.230],
"number_observations_unique": 12587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 5.010
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.039
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.390,2.300],
"number_observations_unique": 12265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 5.570
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.011
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 11887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 6.090
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.957
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 11290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 6.590
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 10907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 7.210
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.779
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 10216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 7.620
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.440
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.980,2.820],
"number_observations_unique": 9954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 8.640
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.909
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations_unique": 9378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.994
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.370,3.160],
"number_observations_unique": 8797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.892
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.640,3.370],
"number_observations_unique": 8197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 11.750
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.754
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.990,3.640],
"number_observations_unique": 7494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 12.080
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.463
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.460,3.990],
"number_observations_unique": 6692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 12.470
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.475
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.150,4.460],
"number_observations_unique": 6029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 13.190
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.857
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [6.310,5.150],
"number_observations_unique": 5105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 12.290
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.847
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [8.930,6.310],
"number_observations_unique": 3829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.950
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.477
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [88.510,8.930],
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 14.290
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.136
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}