Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42876f31dc19f52061c3640f0e1406da",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 110.276,
"b": 110.276,
"c": 66.552,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.650],
"number_observations_unique": 13746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [3.340,3.140],
"number_observations_unique": 1358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [3.600,3.340],
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [3.960,3.600],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [4.530,3.960],
"number_observations_unique": 1382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [5.710,4.530],
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
}
]
},
{
"resolution_limits": [50.000,5.710],
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.000
}
]
}
]
}