Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e9590a838d3b7b83586a0d961e480aa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 66.133,
"b": 119.154,
"c": 161.424,
"alpha": 90.00,
"beta": 98.48,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.710,2.800],
"number_observations_unique": 30056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.090
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.800],
"number_observations": 23380,
"number_observations_unique": 2989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.340
}
]
},
{
"resolution_limits": [3.020,2.900],
"number_observations": 23400,
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.150,3.020],
"number_observations": 23440,
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations": 23306,
"number_observations_unique": 3003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.210
}
]
},
{
"resolution_limits": [3.530,3.320],
"number_observations": 23268,
"number_observations_unique": 3009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.140
}
]
},
{
"resolution_limits": [3.800,3.530],
"number_observations": 22970,
"number_observations_unique": 3001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.010
}
]
},
{
"resolution_limits": [4.180,3.800],
"number_observations": 22925,
"number_observations_unique": 3007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.920
}
]
},
{
"resolution_limits": [4.790,4.180],
"number_observations": 22617,
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.880
}
]
},
{
"resolution_limits": [6.020,4.790],
"number_observations": 22819,
"number_observations_unique": 3018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.990
}
]
},
{
"resolution_limits": [36.710,6.020],
"number_observations": 22309,
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.840
}
]
}
]
}