Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8df2bbd6a5a3dcfb7ed44e96eda987a",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.437,
"b": 135.437,
"c": 235.568,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00148],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.72,1.960],
"number_observations": 596175,
"number_observations_unique": 115586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 15.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.158
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 44877,
"number_observations_unique": 8617,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.416
},
{
"type": "R(meas)",
"value": 1.575
},
{
"type": "I/SigI",
"value": 1.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.208
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 42184,
"number_observations_unique": 8276,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(meas)",
"value": 1.136
},
{
"type": "I/SigI",
"value": 1.640
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.097
},
{
"type": "CC(1/2)",
"value": 0.641
}
]
},
{
"resolution_limits": [2.130,2.070],
"number_observations": 39596,
"number_observations_unique": 8114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "R(meas)",
"value": 0.960
},
{
"type": "I/SigI",
"value": 1.970
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.880
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [2.190,2.130],
"number_observations": 40619,
"number_observations_unique": 7864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 3.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.165
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.260,2.190],
"number_observations": 40459,
"number_observations_unique": 7643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.294
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [2.340,2.260],
"number_observations": 39144,
"number_observations_unique": 7380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 5.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.304
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [2.430,2.340],
"number_observations": 37232,
"number_observations_unique": 7108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 6.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.238
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.530,2.430],
"number_observations": 34387,
"number_observations_unique": 6849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 7.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.021
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.640,2.530],
"number_observations": 32979,
"number_observations_unique": 6572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 10.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.018
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.770,2.640],
"number_observations": 33891,
"number_observations_unique": 6318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 12.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.364
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.920,2.770],
"number_observations": 31892,
"number_observations_unique": 5972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 16.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.340
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.100,2.920],
"number_observations": 29702,
"number_observations_unique": 5614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 20.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.291
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.310,3.100],
"number_observations": 26179,
"number_observations_unique": 5317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 26.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.924
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.580,3.310],
"number_observations": 25506,
"number_observations_unique": 4983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 34.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.119
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.920,3.580],
"number_observations": 23718,
"number_observations_unique": 4496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 42.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.275
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.380,3.920],
"number_observations": 21443,
"number_observations_unique": 4143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 48.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.176
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.060,4.380],
"number_observations": 17049,
"number_observations_unique": 3609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 49.550
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.724
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.200,5.060],
"number_observations": 16516,
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 52.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.378
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.770,6.200],
"number_observations": 12183,
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 55.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.169
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.720,8.770],
"number_observations": 6619,
"number_observations_unique": 1283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 61.950
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.159
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}