Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8fdbc5edfd673f12ed79e2710739dd79",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 400.0,
"b": 400.0,
"c": 173.0,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.801,2.920],
"number_observations": 31531631,
"number_observations_unique": 296028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 106.516
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.920],
"number_observations": 1242955,
"number_observations_unique": 17704,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.452
},
{
"type": "R(meas)",
"value": 8.490
},
{
"type": "I/SigI",
"value": 0.210
},
{
"type": "Completeness",
"value": 80.100
},
{
"type": "Redundancy",
"value": 70.208
},
{
"type": "CC(1/2)",
"value": 0.289
}
]
},
{
"resolution_limits": [3.070,2.990],
"number_observations": 2133017,
"number_observations_unique": 21311,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.347
},
{
"type": "R(meas)",
"value": 6.375
},
{
"type": "I/SigI",
"value": 0.580
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 100.090
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
},
{
"resolution_limits": [3.160,3.070],
"number_observations": 2381794,
"number_observations_unique": 20891,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.789
},
{
"type": "R(meas)",
"value": 4.811
},
{
"type": "I/SigI",
"value": 0.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 114.011
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [3.260,3.160],
"number_observations": 2305421,
"number_observations_unique": 20363,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.629
},
{
"type": "R(meas)",
"value": 3.647
},
{
"type": "I/SigI",
"value": 1.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 113.216
},
{
"type": "CC(1/2)",
"value": 0.686
}
]
},
{
"resolution_limits": [3.370,3.260],
"number_observations": 2204689,
"number_observations_unique": 19699,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.357
},
{
"type": "R(meas)",
"value": 2.368
},
{
"type": "I/SigI",
"value": 1.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 111.919
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [3.490,3.370],
"number_observations": 2089456,
"number_observations_unique": 19076,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.723
},
{
"type": "R(meas)",
"value": 1.731
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 109.533
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [3.620,3.490],
"number_observations": 1891006,
"number_observations_unique": 18411,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.299
},
{
"type": "R(meas)",
"value": 1.305
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 102.711
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [3.770,3.620],
"number_observations": 2028754,
"number_observations_unique": 17792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.971
},
{
"type": "R(meas)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 5.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 114.026
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.930,3.770],
"number_observations": 1922186,
"number_observations_unique": 17037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.697
},
{
"type": "R(meas)",
"value": 0.700
},
{
"type": "I/SigI",
"value": 7.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 112.824
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.130,3.930],
"number_observations": 1810706,
"number_observations_unique": 16320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "I/SigI",
"value": 10.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 110.950
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.350,4.130],
"number_observations": 1662659,
"number_observations_unique": 15545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 14.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 106.958
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.610,4.350],
"number_observations": 1550993,
"number_observations_unique": 14679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 20.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 105.661
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.930,4.610],
"number_observations": 1567535,
"number_observations_unique": 13895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 112.813
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.330,4.930],
"number_observations": 1442286,
"number_observations_unique": 12933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 30.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 111.520
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.830,5.330],
"number_observations": 1244015,
"number_observations_unique": 11866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 36.190
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 104.839
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.520,5.830],
"number_observations": 1202276,
"number_observations_unique": 10836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 51.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 110.952
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.530,6.520],
"number_observations": 1061548,
"number_observations_unique": 9631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 67.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 110.222
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [9.220,7.530],
"number_observations": 811436,
"number_observations_unique": 8111,
"quality_factors": [
{
"type": "I/SigI",
"value": 99.350
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 100.041
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [13.050,9.220],
"number_observations": 661573,
"number_observations_unique": 6412,
"quality_factors": [
{
"type": "I/SigI",
"value": 122.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 103.177
}
]
},
{
"resolution_limits": [39.801,13.050],
"number_observations": 317326,
"number_observations_unique": 3516,
"quality_factors": [
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 90.252
}
]
}
]
}