Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5827f72ad8ddb08ab3fdb146ba6d3913",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.88,
"b": 95.18,
"c": 117.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.4410,2.650],
"number_observations_unique": 14792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 10.340
},
{
"type": "Completeness",
"value": 97.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.650],
"number_observations": 5788,
"number_observations_unique": 1079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 3.470
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.790,2.720],
"number_observations": 5821,
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 3.920
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations": 5333,
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations": 5430,
"number_observations_unique": 1012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 5.010
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [3.060,2.960],
"number_observations": 5193,
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 5.640
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [3.170,3.060],
"number_observations": 5046,
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 6.780
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [3.290,3.170],
"number_observations": 4859,
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 7.710
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [3.420,3.290],
"number_observations": 4705,
"number_observations_unique": 874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 9.540
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [3.570,3.420],
"number_observations": 4425,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 11.380
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [3.750,3.570],
"number_observations": 4254,
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 12.350
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.950,3.750],
"number_observations": 3994,
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 13.870
},
{
"type": "Completeness",
"value": 96.800
}
]
},
{
"resolution_limits": [4.190,3.950],
"number_observations": 3857,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [4.480,4.190],
"number_observations": 3633,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 16.540
},
{
"type": "Completeness",
"value": 96.200
}
]
},
{
"resolution_limits": [4.840,4.480],
"number_observations": 3140,
"number_observations_unique": 612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 16.630
},
{
"type": "Completeness",
"value": 94.600
}
]
},
{
"resolution_limits": [5.300,4.840],
"number_observations": 3110,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 16.410
},
{
"type": "Completeness",
"value": 94.900
}
]
},
{
"resolution_limits": [5.930,5.300],
"number_observations": 2837,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 15.670
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [6.840,5.930],
"number_observations": 2538,
"number_observations_unique": 477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 16.860
},
{
"type": "Completeness",
"value": 94.600
}
]
},
{
"resolution_limits": [8.380,6.840],
"number_observations": 2127,
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 19.720
},
{
"type": "Completeness",
"value": 93.300
}
]
},
{
"resolution_limits": [11.850,8.380],
"number_observations": 1606,
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 23.750
},
{
"type": "Completeness",
"value": 91.400
}
]
},
{
"resolution_limits": [29.4410,11.850],
"number_observations": 834,
"number_observations_unique": 184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 22.750
},
{
"type": "Completeness",
"value": 84.800
}
]
}
]
}