Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a7275715413c491bbf8347d41f4d404",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 98.741,
"b": 98.741,
"c": 281.099,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.984,2.230],
"number_observations_unique": 40445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 14.99
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 4.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.230],
"number_observations": 13644,
"number_observations_unique": 2906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 2.370
},
{
"type": "Completeness",
"value": 99.5
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations": 13818,
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 2.790
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations": 13196,
"number_observations_unique": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 3.170
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 12925,
"number_observations_unique": 2702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 3.960
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations": 12432,
"number_observations_unique": 2608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.670,2.580],
"number_observations": 12196,
"number_observations_unique": 2570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 5.250
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.770,2.670],
"number_observations": 11640,
"number_observations_unique": 2447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 5.870
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [2.880,2.770],
"number_observations": 11231,
"number_observations_unique": 2355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 7.660
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.010,2.880],
"number_observations": 10861,
"number_observations_unique": 2294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 10.090
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.150,3.010],
"number_observations": 10339,
"number_observations_unique": 2178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations": 9802,
"number_observations_unique": 2088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 15.190
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [3.530,3.320],
"number_observations": 9349,
"number_observations_unique": 1994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 20.660
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [3.770,3.530],
"number_observations": 8581,
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.210
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [4.070,3.770],
"number_observations": 8077,
"number_observations_unique": 1759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 32.370
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [4.460,4.070],
"number_observations": 7473,
"number_observations_unique": 1625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 37.090
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [4.990,4.460],
"number_observations": 6781,
"number_observations_unique": 1489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 41.450
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [5.760,4.990],
"number_observations": 5935,
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 38.020
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [7.050,5.760],
"number_observations": 5105,
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 37.940
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [9.970,7.050],
"number_observations": 3877,
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 47.610
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [33.984,9.970],
"number_observations": 1992,
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 49.070
},
{
"type": "Completeness",
"value": 95.8
}
]
}
]
}