Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b93a5f4931f780b4311c4a83875fb03e",
"space_group_name": "P 42",
"unit_cell": {
"a": 80.06,
"b": 80.06,
"c": 90.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97650],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.94,1.75],
"number_observations_unique": 56552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.50
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 58774,
"number_observations_unique": 8167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.960,1.840],
"number_observations": 58619,
"number_observations_unique": 7765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.090,1.960],
"number_observations": 54826,
"number_observations_unique": 7280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.260,2.090],
"number_observations": 51139,
"number_observations_unique": 6821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.470,2.260],
"number_observations": 47103,
"number_observations_unique": 6321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.770,2.470],
"number_observations": 42483,
"number_observations_unique": 5727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [3.200,2.770],
"number_observations": 36978,
"number_observations_unique": 5055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.910,3.200],
"number_observations": 30740,
"number_observations_unique": 4301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [5.530,3.910],
"number_observations": 22412,
"number_observations_unique": 3311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [39.284,5.530],
"number_observations": 13431,
"number_observations_unique": 1804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 7.400
}
]
}
]
}