Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77045d48fa7e9ce00c4803b7a23a7b83",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 104.67,
"b": 104.67,
"c": 138.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97610],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.200,2.000],
"number_observations_unique": 52610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 15.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.054
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 3831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "R(meas)",
"value": 0.896
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.189
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 3733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 3.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.188
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations_unique": 3623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 4.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.172
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations_unique": 3532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.462
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 4.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.167
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations_unique": 3418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 5.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.181
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations_unique": 3343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 6.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.149
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 3195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.198
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 3075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 8.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.169
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 2991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 10.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.139
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.126
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations_unique": 2720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 16.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.125
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 20.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.063
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 25.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.038
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations_unique": 2254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 31.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.984
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations_unique": 2114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 36.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.909
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations_unique": 1913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.742
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 40.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.428
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 36.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.707
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 42.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.570
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.200,8.940],
"number_observations_unique": 687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 46.150
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.783
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}