Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6474e7d663d68f5a42278589a7cef94c",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 184.38,
"b": 184.38,
"c": 615.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,4.010],
"number_observations": 303824,
"number_observations_unique": 25618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 7.350
},
{
"type": "Completeness",
"value": 56.000
},
{
"type": "Redundancy",
"value": 6.4
}
]
},
"refln_shells": [
{
"resolution_limits": [4.120,4.010],
"number_observations": 454,
"number_observations_unique": 105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "R(meas)",
"value": 1.113
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 1.700
},
{
"type": "Redundancy",
"value": 4.3
}
]
},
{
"resolution_limits": [4.230,4.120],
"number_observations": 2484,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "R(meas)",
"value": 0.901
},
{
"type": "I/SigI",
"value": 3.470
},
{
"type": "Completeness",
"value": 5.600
}
]
},
{
"resolution_limits": [4.350,4.230],
"number_observations": 3980,
"number_observations_unique": 561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 9.500
}
]
},
{
"resolution_limits": [4.480,4.350],
"number_observations": 5719,
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 3.670
},
{
"type": "Completeness",
"value": 14.600
}
]
},
{
"resolution_limits": [4.630,4.480],
"number_observations": 7374,
"number_observations_unique": 1166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.674
},
{
"type": "I/SigI",
"value": 4.250
},
{
"type": "Completeness",
"value": 20.800
}
]
},
{
"resolution_limits": [4.790,4.630],
"number_observations": 9056,
"number_observations_unique": 1504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 4.040
},
{
"type": "Completeness",
"value": 27.900
}
]
},
{
"resolution_limits": [4.980,4.790],
"number_observations": 11838,
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.734
},
{
"type": "I/SigI",
"value": 3.990
},
{
"type": "Completeness",
"value": 38.200
}
]
},
{
"resolution_limits": [5.180,4.980],
"number_observations": 15373,
"number_observations_unique": 2582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.795
},
{
"type": "R(meas)",
"value": 0.872
},
{
"type": "I/SigI",
"value": 3.340
},
{
"type": "Completeness",
"value": 51.600
}
]
},
{
"resolution_limits": [5.410,5.180],
"number_observations": 23812,
"number_observations_unique": 3753,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.048
},
{
"type": "R(meas)",
"value": 1.145
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 77.900
}
]
},
{
"resolution_limits": [5.670,5.410],
"number_observations": 30571,
"number_observations_unique": 4645,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.529
},
{
"type": "R(meas)",
"value": 1.664
},
{
"type": "I/SigI",
"value": 1.830
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.980,5.670],
"number_observations": 28716,
"number_observations_unique": 4375,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.263
},
{
"type": "R(meas)",
"value": 1.376
},
{
"type": "I/SigI",
"value": 2.210
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [6.340,5.980],
"number_observations": 27198,
"number_observations_unique": 4144,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.122
},
{
"type": "R(meas)",
"value": 1.221
},
{
"type": "I/SigI",
"value": 2.560
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.780,6.340],
"number_observations": 25402,
"number_observations_unique": 3874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.879
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.320,6.780],
"number_observations": 23704,
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 5.950
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.020,7.320],
"number_observations": 21849,
"number_observations_unique": 3363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 9.810
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.970,8.020],
"number_observations": 19348,
"number_observations_unique": 3010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 14.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.360,8.970],
"number_observations": 16917,
"number_observations_unique": 2667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 20.340
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [12.680,10.360],
"number_observations": 14011,
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 21.910
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [17.940,12.680],
"number_observations": 10707,
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 21.940
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [50,17.940],
"number_observations": 5311,
"number_observations_unique": 920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.110
},
{
"type": "Completeness",
"value": 94.500
}
]
}
]
}