Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd44c8d3167e6bbbd365c685a48da8ea",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 112.06,
"b": 112.06,
"c": 68.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97870,0.97833],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.161,1.70],
"number_observations_unique": 48232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.750
},
{
"type": "Completeness",
"value": 99.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations": 31307,
"number_observations_unique": 8862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations": 32871,
"number_observations_unique": 9056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations": 32542,
"number_observations_unique": 8795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations": 37255,
"number_observations_unique": 9923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations": 33123,
"number_observations_unique": 8665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations": 35723,
"number_observations_unique": 9329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations": 34889,
"number_observations_unique": 9054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.90,2.54],
"number_observations": 34555,
"number_observations_unique": 8950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [3.66,2.90],
"number_observations": 35982,
"number_observations_unique": 9278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 33.1
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [29.161,3.66],
"number_observations": 35536,
"number_observations_unique": 9139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 47.7
},
{
"type": "Completeness",
"value": 99.40
}
]
}
]
}