Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fdcf893ca12606ab22ddd5b14d358e08",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 37.488,
"b": 37.488,
"c": 169.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97944,0.97894],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.174,2.27],
"number_observations_unique": 6200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 11.930
},
{
"type": "Completeness",
"value": 99.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.270],
"number_observations": 3675,
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.440,2.350],
"number_observations": 4016,
"number_observations_unique": 998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.560,2.440],
"number_observations": 4566,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations": 4143,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.860,2.690],
"number_observations": 4149,
"number_observations_unique": 1069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.080,2.860],
"number_observations": 3803,
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.390,3.080],
"number_observations": 4319,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.870,3.390],
"number_observations": 4127,
"number_observations_unique": 1043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.870,3.870],
"number_observations": 3894,
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 27.8
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [28.174,4.870],
"number_observations": 4212,
"number_observations_unique": 1094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 30.8
},
{
"type": "Completeness",
"value": 98.300
}
]
}
]
}