Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c8a31bbf74b04bec2ac5685b3fd26c1",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 119.9,
"b": 130.1,
"c": 173.9,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96000,1.03700,1.00600,0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.9,3.100],
"number_observations_unique": 48907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 17.220
},
{
"type": "Completeness",
"value": 97.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.20,3.10],
"number_observations": 19853,
"number_observations_unique": 4107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.750
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 92.40
}
]
},
{
"resolution_limits": [3.40,3.20],
"number_observations": 62800,
"number_observations_unique": 6853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 91.50
}
]
},
{
"resolution_limits": [3.80,3.40],
"number_observations": 136964,
"number_observations_unique": 10515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [4.00,3.80],
"number_observations": 50348,
"number_observations_unique": 3854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [4.30,4.00],
"number_observations": 59749,
"number_observations_unique": 4512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [4.50,4.30],
"number_observations": 33106,
"number_observations_unique": 2391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 23.6
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [5.00,4.50],
"number_observations": 60189,
"number_observations_unique": 4445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 26.2
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [6.00,5.00],
"number_observations": 66643,
"number_observations_unique": 5067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 27.1
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [10.00,6.00],
"number_observations": 71204,
"number_observations_unique": 5564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 37.1
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [49.9,10.00],
"number_observations": 17659,
"number_observations_unique": 1599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 44.8
},
{
"type": "Completeness",
"value": 97.20
}
]
}
]
}