Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da9fb86ce413be140f7e1810a155053b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.31,
"b": 69.20,
"c": 117.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.084,1.6970],
"number_observations_unique": 54867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 13.440
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.357
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 16667,
"number_observations_unique": 3809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 2.890
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.376
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 19295,
"number_observations_unique": 3909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 3.740
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.936
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations": 21390,
"number_observations_unique": 3839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 4.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.572
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 20946,
"number_observations_unique": 3709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 5.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.647
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 19760,
"number_observations_unique": 3611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 7.630
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.472
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.030,1.960],
"number_observations": 18691,
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 8.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.380
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations": 19172,
"number_observations_unique": 3401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 11.050
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.637
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.190,2.110],
"number_observations": 18162,
"number_observations_unique": 3231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 12.660
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.621
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.290,2.190],
"number_observations": 16293,
"number_observations_unique": 3103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 13.420
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.251
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.400,2.290],
"number_observations": 16614,
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 15.580
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.531
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.530,2.400],
"number_observations": 15963,
"number_observations_unique": 2832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 17.410
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.637
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.680,2.530],
"number_observations": 14839,
"number_observations_unique": 2694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 18.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.508
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.870,2.680],
"number_observations": 13724,
"number_observations_unique": 2562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 20.220
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.357
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.100,2.870],
"number_observations": 13204,
"number_observations_unique": 2344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 22.690
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.633
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.390,3.100],
"number_observations": 11895,
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 24.380
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.409
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.790,3.390],
"number_observations": 10557,
"number_observations_unique": 1986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 25.550
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.316
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.380,3.790],
"number_observations": 9556,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 27.310
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.433
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.370,4.380],
"number_observations": 7895,
"number_observations_unique": 1519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 26.470
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.197
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.590,5.370],
"number_observations": 6175,
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 25.930
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.133
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [29.084,7.590],
"number_observations": 3112,
"number_observations_unique": 679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.170
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.583
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}