Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e4658fc6d023966ba9bc174a7a746d0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.69,
"b": 92.06,
"c": 86.41,
"alpha": 90.00,
"beta": 96.82,
"gamma": 90.00
},
"wavelengths": [1.12709],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.750],
"number_observations_unique": 74295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 13.610
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 19113,
"number_observations_unique": 5459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 2.320
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [1.840,1.800],
"number_observations": 19935,
"number_observations_unique": 5376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 2.940
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [1.900,1.840],
"number_observations": 19226,
"number_observations_unique": 5182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 3.410
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.960,1.900],
"number_observations": 18562,
"number_observations_unique": 5051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 4.540
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.020,1.960],
"number_observations": 18257,
"number_observations_unique": 4898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 5.650
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations": 17365,
"number_observations_unique": 4724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 7.040
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations": 17081,
"number_observations_unique": 4583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 8.660
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations": 15992,
"number_observations_unique": 4383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 10.550
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations": 15580,
"number_observations_unique": 4184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.370
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.470,2.360],
"number_observations": 15176,
"number_observations_unique": 4067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.110
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.610,2.470],
"number_observations": 14268,
"number_observations_unique": 3827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 15.180
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations": 13410,
"number_observations_unique": 3608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 17.150
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.960,2.770],
"number_observations": 12848,
"number_observations_unique": 3444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 20.410
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.200,2.960],
"number_observations": 11831,
"number_observations_unique": 3189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 24.430
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.500,3.200],
"number_observations": 10713,
"number_observations_unique": 2903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 28.990
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.910,3.500],
"number_observations": 9696,
"number_observations_unique": 2667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 33.570
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [4.520,3.910],
"number_observations": 8359,
"number_observations_unique": 2347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 36.190
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [5.530,4.520],
"number_observations": 7501,
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 37.310
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [7.830,5.530],
"number_observations": 5889,
"number_observations_unique": 1568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 36.980
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [50,7.830],
"number_observations": 2951,
"number_observations_unique": 840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 41.910
},
{
"type": "Completeness",
"value": 95.900
}
]
}
]
}