Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eb1b1b7b09936ecea85ade716d1d796d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.635,
"b": 108.160,
"c": 108.192,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97917],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.420,2.00],
"number_observations_unique": 46541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 15.190
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.000],
"number_observations": 64261,
"number_observations_unique": 8585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.776
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.150,2.070],
"number_observations": 66071,
"number_observations_unique": 8605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.250,2.150],
"number_observations": 69360,
"number_observations_unique": 9033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.370,2.250],
"number_observations": 69149,
"number_observations_unique": 8985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations": 69088,
"number_observations_unique": 8958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.710,2.520],
"number_observations": 66659,
"number_observations_unique": 8650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.990,2.710],
"number_observations": 69866,
"number_observations_unique": 9106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.420,2.990],
"number_observations": 65870,
"number_observations_unique": 8757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 23.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.300,3.420],
"number_observations": 63845,
"number_observations_unique": 8768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [29.420,4.300],
"number_observations": 66927,
"number_observations_unique": 8909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 39.7
},
{
"type": "Completeness",
"value": 99.600
}
]
}
]
}