Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da6e7d172c7bb5f2f25cff5ecaf1c605",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.18,
"b": 115.81,
"c": 221.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.8200,2.320],
"number_observations_unique": 165495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 8.350
},
{
"type": "Completeness",
"value": 99.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.320],
"number_observations": 35880,
"number_observations_unique": 12233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations": 35202,
"number_observations_unique": 11986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.520,2.450],
"number_observations": 34240,
"number_observations_unique": 11624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.590,2.520],
"number_observations": 33305,
"number_observations_unique": 11278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.680,2.590],
"number_observations": 32363,
"number_observations_unique": 10957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 31381,
"number_observations_unique": 10590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.880,2.770],
"number_observations": 30354,
"number_observations_unique": 10247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.000,2.880],
"number_observations": 28983,
"number_observations_unique": 9802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.130,3.000],
"number_observations": 27747,
"number_observations_unique": 9419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.280,3.130],
"number_observations": 26335,
"number_observations_unique": 8991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.460,3.280],
"number_observations": 24991,
"number_observations_unique": 8590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.670,3.460],
"number_observations": 23498,
"number_observations_unique": 8145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.920,3.670],
"number_observations": 21581,
"number_observations_unique": 7577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 14.5
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.240,3.920],
"number_observations": 20076,
"number_observations_unique": 7103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.640,4.240],
"number_observations": 18464,
"number_observations_unique": 6526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.190,4.640],
"number_observations": 16618,
"number_observations_unique": 5860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.990,5.190],
"number_observations": 14996,
"number_observations_unique": 5204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.340,5.990],
"number_observations": 12649,
"number_observations_unique": 4391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [10.380,7.340],
"number_observations": 9700,
"number_observations_unique": 3370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 20.1
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [19.8200,10.380],
"number_observations": 4620,
"number_observations_unique": 1602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 85.900
}
]
}
]
}