Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e2a84f693e59e50e35fbda161c5e9d8a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 126.40,
"b": 126.40,
"c": 133.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.922,2.000],
"number_observations": 1964971,
"number_observations_unique": 73469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 17.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.746
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 5347,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.126
},
{
"type": "R(meas)",
"value": 4.211
},
{
"type": "I/SigI",
"value": 0.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.969
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 5230,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.940
},
{
"type": "R(meas)",
"value": 2.994
},
{
"type": "I/SigI",
"value": 1.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.649
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations_unique": 5082,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.136
},
{
"type": "R(meas)",
"value": 2.175
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.057
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations_unique": 4945,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.677
},
{
"type": "R(meas)",
"value": 1.708
},
{
"type": "I/SigI",
"value": 2.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.963
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations_unique": 4783,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.189
},
{
"type": "R(meas)",
"value": 1.211
},
{
"type": "I/SigI",
"value": 3.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 27.472
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations_unique": 4663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.895
},
{
"type": "R(meas)",
"value": 0.912
},
{
"type": "I/SigI",
"value": 4.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.195
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 4495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.703
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.426
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 4301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "R(meas)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 8.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.253
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 4159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 12.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.131
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations_unique": 3972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 15.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.175
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations_unique": 3796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 21.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.733
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations_unique": 3598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.301
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations_unique": 3368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 32.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.555
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations_unique": 3171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 38.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.641
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations_unique": 2932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 43.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.323
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations_unique": 2678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 49.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.475
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations_unique": 2358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 50.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.019
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations_unique": 2031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 48.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.842
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 48.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.632
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [45.922,8.940],
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 49.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 23.835
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}