Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d85a9e70e348b2a3c7e788128a3123e2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.177,
"b": 61.232,
"c": 222.239,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.448,1.600],
"number_observations_unique": 98640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.600],
"number_observations": 13986,
"number_observations_unique": 9196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 58.200
},
{
"type": "Redundancy",
"value": 1.500
}
]
},
{
"resolution_limits": [1.790,1.690],
"number_observations": 36548,
"number_observations_unique": 13036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.910,1.790],
"number_observations": 37702,
"number_observations_unique": 12666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.070,1.910],
"number_observations": 41964,
"number_observations_unique": 12250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.260,2.070],
"number_observations": 48629,
"number_observations_unique": 12142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [2.530,2.260],
"number_observations": 55798,
"number_observations_unique": 11000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.920,2.530],
"number_observations": 51214,
"number_observations_unique": 9754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.580,2.920],
"number_observations": 42796,
"number_observations_unique": 8322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [5.060,3.580],
"number_observations": 31699,
"number_observations_unique": 6519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [44.448,5.060],
"number_observations": 19158,
"number_observations_unique": 3755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
}
]
}
]
}