Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1843e5d492c5cd31ac09d66412ee7d2f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 162.73,
"b": 74.08,
"c": 108.39,
"alpha": 90.00,
"beta": 99.92,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.335,2.600],
"number_observations": 146585,
"number_observations_unique": 39245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 20.160
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.735
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 10731,
"number_observations_unique": 2850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.717
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.765
},
{
"type": "CC(1/2)",
"value": 0.780
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 10692,
"number_observations_unique": 2843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "R(meas)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.761
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 10333,
"number_observations_unique": 2723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 3.890
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.795
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations": 10080,
"number_observations_unique": 2656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 5.090
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.795
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [3.000,2.910],
"number_observations": 9790,
"number_observations_unique": 2575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.802
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.110,3.000],
"number_observations": 9516,
"number_observations_unique": 2507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 7.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.796
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.220,3.110],
"number_observations": 9187,
"number_observations_unique": 2420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.760
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.796
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.360,3.220],
"number_observations": 8781,
"number_observations_unique": 2321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 14.850
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.783
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.510,3.360],
"number_observations": 8016,
"number_observations_unique": 2189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 18.280
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.662
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.680,3.510],
"number_observations": 7924,
"number_observations_unique": 2140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 23.220
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.703
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.880,3.680],
"number_observations": 7613,
"number_observations_unique": 2058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.699
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.110,3.880],
"number_observations": 6850,
"number_observations_unique": 1881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.642
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.390,4.110],
"number_observations": 6786,
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 37.830
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.727
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.750,4.390],
"number_observations": 6258,
"number_observations_unique": 1690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 40.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.703
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.200,4.750],
"number_observations": 5726,
"number_observations_unique": 1553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 41.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.687
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.810,5.200],
"number_observations": 5050,
"number_observations_unique": 1395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 40.150
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.620
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.710,5.810],
"number_observations": 4653,
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 42.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.690
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.220,6.710],
"number_observations": 3920,
"number_observations_unique": 1075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 50.080
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.647
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.630,8.220],
"number_observations": 3054,
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 60.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.688
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.335,11.630],
"number_observations": 1625,
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 62.150
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.540
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}