Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f641f1b20d3c5f450c072339098ac45c",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 99.160,
"b": 99.160,
"c": 280.919,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.34,2.900],
"number_observations_unique": 18717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.21
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 4.1
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.900],
"number_observations": 7293,
"number_observations_unique": 1763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 3.820
},
{
"type": "Completeness",
"value": 98.6
}
]
},
{
"resolution_limits": [3.100,3.000],
"number_observations": 6437,
"number_observations_unique": 1557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 98.7
}
]
},
{
"resolution_limits": [3.200,3.100],
"number_observations": 5679,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 5.050
},
{
"type": "Completeness",
"value": 98.8
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations": 4917,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 5.850
},
{
"type": "Completeness",
"value": 99.1
}
]
},
{
"resolution_limits": [3.580,3.300],
"number_observations": 11203,
"number_observations_unique": 2720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 8.010
},
{
"type": "Completeness",
"value": 99.3
}
]
},
{
"resolution_limits": [3.860,3.580],
"number_observations": 8148,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 11.280
},
{
"type": "Completeness",
"value": 99.4
}
]
},
{
"resolution_limits": [4.140,3.860],
"number_observations": 6144,
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 12.910
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [4.420,4.140],
"number_observations": 4671,
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 14.870
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [4.700,4.420],
"number_observations": 3666,
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 16.510
},
{
"type": "Completeness",
"value": 98.5
}
]
},
{
"resolution_limits": [10.000,4.700],
"number_observations": 16222,
"number_observations_unique": 4071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 14.610
},
{
"type": "Completeness",
"value": 97.8
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations": 1278,
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 18.530
},
{
"type": "Completeness",
"value": 91.8
}
]
},
{
"resolution_limits": [30.000,20.000],
"number_observations": 100,
"number_observations_unique": 53,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 89.8
}
]
},
{
"resolution_limits": [30.000,20.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 89.8
}
]
}
]
}