Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3bd2e54443e5b59a8237ca777f246dd3",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.55,
"b": 149.07,
"c": 79.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.910,1.550],
"number_observations": 206174,
"number_observations_unique": 45201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.530
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations": 16892,
"number_observations_unique": 4495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.740
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations": 17535,
"number_observations_unique": 4511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.870
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations": 18807,
"number_observations_unique": 4537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.130
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations": 20384,
"number_observations_unique": 4537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.450
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations": 21139,
"number_observations_unique": 4517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.620
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations": 21674,
"number_observations_unique": 4539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.710
}
]
},
{
"resolution_limits": [2.310,2.100],
"number_observations": 22013,
"number_observations_unique": 4521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.830
}
]
},
{
"resolution_limits": [2.650,2.310],
"number_observations": 22469,
"number_observations_unique": 4543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.920
}
]
},
{
"resolution_limits": [3.330,2.650],
"number_observations": 22518,
"number_observations_unique": 4486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [19.910,3.330],
"number_observations": 22743,
"number_observations_unique": 4515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 48.900
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
}
]
}