Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a35d00d1c624b32ea2ee844ba9be91bd",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.080,
"b": 135.080,
"c": 235.206,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.64,2.120],
"number_observations": 524529,
"number_observations_unique": 90677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 15.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.785
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 38891,
"number_observations_unique": 6717,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.134
},
{
"type": "R(meas)",
"value": 1.246
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.790
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [2.230,2.180],
"number_observations": 36191,
"number_observations_unique": 6526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 1.028
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.546
},
{
"type": "CC(1/2)",
"value": 0.680
}
]
},
{
"resolution_limits": [2.300,2.230],
"number_observations": 34906,
"number_observations_unique": 6381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.470
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [2.370,2.300],
"number_observations": 36936,
"number_observations_unique": 6142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.543
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 3.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.014
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [2.450,2.370],
"number_observations": 35870,
"number_observations_unique": 5981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 4.250
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.997
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.530,2.450],
"number_observations": 34514,
"number_observations_unique": 5810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 5.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.940
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.630,2.530],
"number_observations": 32772,
"number_observations_unique": 5615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 6.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.837
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.740,2.630],
"number_observations": 29439,
"number_observations_unique": 5336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 8.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.517
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.860,2.740],
"number_observations": 30029,
"number_observations_unique": 5189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 10.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.787
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.000,2.860],
"number_observations": 29753,
"number_observations_unique": 4906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 13.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.065
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.160,3.000],
"number_observations": 28241,
"number_observations_unique": 4700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 16.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.009
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.350,3.160],
"number_observations": 26269,
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.924
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.580,3.350],
"number_observations": 22852,
"number_observations_unique": 4150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 27.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.507
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.870,3.580],
"number_observations": 22486,
"number_observations_unique": 3881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.794
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.240,3.870],
"number_observations": 21353,
"number_observations_unique": 3585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 40.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.956
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.740,4.240],
"number_observations": 18582,
"number_observations_unique": 3201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.620
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.805
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.470,4.740],
"number_observations": 15293,
"number_observations_unique": 2861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 43.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.345
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.700,5.470],
"number_observations": 14369,
"number_observations_unique": 2411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.960
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.480,6.700],
"number_observations": 10307,
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 50.420
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.620
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.640,9.480],
"number_observations": 5476,
"number_observations_unique": 1017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 54.580
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.384
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}