Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d1c4287139fd53b7b42c5363f261fd1",
"space_group_name": "H 3",
"unit_cell": {
"a": 134.748,
"b": 134.748,
"c": 234.145,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.340,2.320],
"number_observations": 352902,
"number_observations_unique": 68524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 10.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.160
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.320],
"number_observations": 25610,
"number_observations_unique": 5080,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.260
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.041
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations": 26118,
"number_observations_unique": 4974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.949
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.251
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
},
{
"resolution_limits": [2.520,2.450],
"number_observations": 25412,
"number_observations_unique": 4756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.822
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.343
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [2.590,2.520],
"number_observations": 25196,
"number_observations_unique": 4707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 2.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.353
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [2.680,2.590],
"number_observations": 23753,
"number_observations_unique": 4538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.234
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 22547,
"number_observations_unique": 4351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 4.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.182
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.880,2.770],
"number_observations": 21154,
"number_observations_unique": 4232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 5.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.999
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [3.000,2.880],
"number_observations": 21165,
"number_observations_unique": 4091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 6.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.174
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.130,3.000],
"number_observations": 20869,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.399
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.280,3.130],
"number_observations": 20093,
"number_observations_unique": 3770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 11.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.330
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.460,3.280],
"number_observations": 18445,
"number_observations_unique": 3539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 15.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.212
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.670,3.460],
"number_observations": 16299,
"number_observations_unique": 3331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 18.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.893
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.920,3.670],
"number_observations": 15220,
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.839
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.240,3.920],
"number_observations": 15562,
"number_observations_unique": 2965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 27.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.249
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.640,4.240],
"number_observations": 13524,
"number_observations_unique": 2657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 30.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.090
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.190,4.640],
"number_observations": 12021,
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 30.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.885
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.990,5.190],
"number_observations": 9976,
"number_observations_unique": 2133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 29.280
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.677
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.340,5.990],
"number_observations": 9545,
"number_observations_unique": 1830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.216
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.380,7.340],
"number_observations": 6567,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.735
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.340,10.380],
"number_observations": 3826,
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 42.120
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.061
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}