Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e450c5ff26b64bfe780cc95bc744f28",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 85.841,
"b": 85.841,
"c": 170.015,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,2.300],
"number_observations": 711896,
"number_observations_unique": 17145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 41.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 41.200
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.500
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.619
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.500
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.500
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.600
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.600
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.200
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.700
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.500
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.300
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.400
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.300
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.200
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 42.000
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 41.800
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 873,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 41.400
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 873,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.800
}
]
},
{
"resolution_limits": [4.960,4.330],
"number_observations_unique": 885,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.800
}
]
},
{
"resolution_limits": [6.240,4.960],
"number_observations_unique": 912,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.100
}
]
},
{
"resolution_limits": [100.000,6.240],
"number_observations_unique": 969,
"quality_factors": [
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 34.500
}
]
}
]
}