Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba25f5e7e607cc64cc63d279312d87d2",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 50.700,
"b": 50.700,
"c": 289.473,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.491,1.250],
"number_observations_unique": 116694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.250],
"number_observations": 55616,
"number_observations_unique": 15979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [1.400,1.320],
"number_observations": 60178,
"number_observations_unique": 15675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.490,1.400],
"number_observations": 60351,
"number_observations_unique": 14857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.610,1.490],
"number_observations": 60132,
"number_observations_unique": 14029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [1.770,1.610],
"number_observations": 59030,
"number_observations_unique": 13062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [1.980,1.770],
"number_observations": 56965,
"number_observations_unique": 11915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.280,1.980],
"number_observations": 53567,
"number_observations_unique": 10609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.800,2.280],
"number_observations": 51170,
"number_observations_unique": 9105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.950,2.800],
"number_observations": 51136,
"number_observations_unique": 7245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
}
]
}
]
}