Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1204b1ba41a95967b738cba73a240f5d",
"space_group_name": "P 65",
"unit_cell": {
"a": 125.68,
"b": 125.68,
"c": 124.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.9100,2.200],
"number_observations_unique": 56556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 17.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 47856,
"number_observations_unique": 4161,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.097
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.5
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 46990,
"number_observations_unique": 4084,
"quality_factors": [
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 45554,
"number_observations_unique": 3953,
"quality_factors": [
{
"type": "I/SigI",
"value": 4.440
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 44470,
"number_observations_unique": 3853,
"quality_factors": [
{
"type": "I/SigI",
"value": 5.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 42755,
"number_observations_unique": 3703,
"quality_factors": [
{
"type": "I/SigI",
"value": 6.030
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 41704,
"number_observations_unique": 3608,
"quality_factors": [
{
"type": "I/SigI",
"value": 7.590
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 40269,
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 38594,
"number_observations_unique": 3329,
"quality_factors": [
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 36930,
"number_observations_unique": 3191,
"quality_factors": [
{
"type": "I/SigI",
"value": 13.890
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 35714,
"number_observations_unique": 3085,
"quality_factors": [
{
"type": "I/SigI",
"value": 17.230
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 33883,
"number_observations_unique": 2927,
"quality_factors": [
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 31996,
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "I/SigI",
"value": 26.480
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 29829,
"number_observations_unique": 2588,
"quality_factors": [
{
"type": "I/SigI",
"value": 31.400
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 27819,
"number_observations_unique": 2420,
"quality_factors": [
{
"type": "I/SigI",
"value": 35.460
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 25530,
"number_observations_unique": 2232,
"quality_factors": [
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 23191,
"number_observations_unique": 2027,
"quality_factors": [
{
"type": "I/SigI",
"value": 43.130
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 20377,
"number_observations_unique": 1790,
"quality_factors": [
{
"type": "I/SigI",
"value": 42.820
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 17190,
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "I/SigI",
"value": 44.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 13156,
"number_observations_unique": 1175,
"quality_factors": [
{
"type": "I/SigI",
"value": 51.940
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [49.9100,9.840],
"number_observations": 6885,
"number_observations_unique": 654,
"quality_factors": [
{
"type": "I/SigI",
"value": 54.410
},
{
"type": "Completeness",
"value": 99.100
}
]
}
]
}