Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87901dd95e8873833e74e187b10edc43",
"space_group_name": "P 1",
"unit_cell": {
"a": 30.27,
"b": 40.07,
"c": 57.35,
"alpha": 100.10,
"beta": 104.61,
"gamma": 90.07
},
"wavelengths": [0.82660],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.450],
"number_observations": 103746,
"number_observations_unique": 40473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 17.470
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.563
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 5501,
"number_observations_unique": 2837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "I/SigI",
"value": 3.440
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 1.939
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.530,1.490],
"number_observations": 5495,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 4.590
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 1.938
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [1.570,1.530],
"number_observations": 5462,
"number_observations_unique": 2780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 5.460
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 1.965
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations": 5315,
"number_observations_unique": 2719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 6.790
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 1.955
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 5106,
"number_observations_unique": 2620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 7.760
},
{
"type": "Completeness",
"value": 86.200
},
{
"type": "Redundancy",
"value": 1.949
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.730,1.670],
"number_observations": 4841,
"number_observations_unique": 2494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 9.350
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 1.941
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.800,1.730],
"number_observations": 4324,
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 11.270
},
{
"type": "Completeness",
"value": 79.800
},
{
"type": "Redundancy",
"value": 1.923
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.870,1.800],
"number_observations": 4679,
"number_observations_unique": 2235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 13.410
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 2.094
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.960,1.870],
"number_observations": 5807,
"number_observations_unique": 2295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 15.440
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 2.530
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.050,1.960],
"number_observations": 6168,
"number_observations_unique": 2255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 18.310
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.735
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.160,2.050],
"number_observations": 6846,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 21.160
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.133
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.290,2.160],
"number_observations": 7192,
"number_observations_unique": 2107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 24.150
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.413
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.450,2.290],
"number_observations": 6521,
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 25.770
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.386
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.650,2.450],
"number_observations": 5919,
"number_observations_unique": 1861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 26.530
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.181
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.900,2.650],
"number_observations": 5672,
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 33.260
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.388
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [3.240,2.900],
"number_observations": 5347,
"number_observations_unique": 1499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 38.340
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.567
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [3.740,3.240],
"number_observations": 4687,
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 40.900
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 3.464
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [4.590,3.740],
"number_observations": 3983,
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 42.760
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.413
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [6.480,4.590],
"number_observations": 3143,
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "I/SigI",
"value": 41.460
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.504
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [29.080,6.480],
"number_observations": 1738,
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 48.150
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.584
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
}
]
}