Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a0956d24855505c302d12ee7a4c6f25f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.04,
"b": 78.04,
"c": 113.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97648],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.500],
"number_observations_unique": 12669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 24.520
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations": 5781,
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 4.080
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.640,2.570],
"number_observations": 5554,
"number_observations_unique": 893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "I/SigI",
"value": 4.620
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations": 5355,
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.391
},
{
"type": "I/SigI",
"value": 5.570
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 5264,
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 6.280
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 5160,
"number_observations_unique": 827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 8.660
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations": 4938,
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 9.490
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 4697,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 13.770
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations": 4666,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.820
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations": 4395,
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 20.620
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations": 4017,
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 25.650
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations": 3679,
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.070
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations": 3485,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.260
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations": 3374,
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 47.310
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations": 3221,
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 53.180
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations": 2887,
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 53.190
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations": 2638,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 51.350
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations": 2426,
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 51.830
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations": 2118,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 53.750
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations": 1645,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 67.550
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [50,11.180],
"number_observations": 717,
"number_observations_unique": 141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 69.600
},
{
"type": "Completeness",
"value": 78.300
}
]
}
]
}