Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19f3e28e6b5d265b8e10ae0555c0a3f9",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 74.704,
"b": 74.704,
"c": 126.507,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.282,2.500],
"number_observations_unique": 12864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.500],
"number_observations": 10248,
"number_observations_unique": 1811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.800,2.640],
"number_observations": 9876,
"number_observations_unique": 1750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.990,2.800],
"number_observations": 9245,
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.230,2.990],
"number_observations": 8558,
"number_observations_unique": 1520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.540,3.230],
"number_observations": 7912,
"number_observations_unique": 1420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.950,3.540],
"number_observations": 7223,
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [4.560,3.950],
"number_observations": 6319,
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [5.590,4.560],
"number_observations": 5352,
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [7.910,5.590],
"number_observations": 4131,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [64.282,7.910],
"number_observations": 2210,
"number_observations_unique": 471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}