Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9d0fc327ba84fa53b20ca4281a7e238",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.49,
"b": 66.86,
"c": 91.69,
"alpha": 90.00,
"beta": 107.51,
"gamma": 90.00
},
"wavelengths": [1.03322],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.750],
"number_observations_unique": 58008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 13.810
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 11995,
"number_observations_unique": 4397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 2.650
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [1.840,1.800],
"number_observations": 15001,
"number_observations_unique": 4126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 3.230
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 15215,
"number_observations_unique": 4056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 14891,
"number_observations_unique": 3970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 4.940
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations": 14371,
"number_observations_unique": 3832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations": 13910,
"number_observations_unique": 3722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 7.730
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations": 13462,
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations": 12941,
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 10.020
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations": 12468,
"number_observations_unique": 3336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 11.630
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.470,2.360],
"number_observations": 11879,
"number_observations_unique": 3197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 13.870
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.610,2.470],
"number_observations": 11285,
"number_observations_unique": 3045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 15.540
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations": 10715,
"number_observations_unique": 2899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [2.960,2.770],
"number_observations": 10045,
"number_observations_unique": 2723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 21.360
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.200,2.960],
"number_observations": 9290,
"number_observations_unique": 2545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 24.520
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.500,3.200],
"number_observations": 8396,
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 28.230
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.910,3.500],
"number_observations": 7723,
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 31.880
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.520,3.910],
"number_observations": 6782,
"number_observations_unique": 1886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 33.990
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [5.530,4.520],
"number_observations": 5822,
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 35.070
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [7.830,5.530],
"number_observations": 4581,
"number_observations_unique": 1254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 32.310
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [50,7.830],
"number_observations": 2250,
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 37.610
},
{
"type": "Completeness",
"value": 91.200
}
]
}
]
}