Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb99e123e078edebdbe71fad335c45e4",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 121.627,
"b": 133.538,
"c": 180.232,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.954,2.45],
"number_observations_unique": 106951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.580,2.450],
"number_observations": 87103,
"number_observations_unique": 15407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.740,2.580],
"number_observations": 93657,
"number_observations_unique": 14684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.930,2.740],
"number_observations": 87936,
"number_observations_unique": 13890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.160,2.930],
"number_observations": 79737,
"number_observations_unique": 12934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.460,3.160],
"number_observations": 68752,
"number_observations_unique": 11748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [3.870,3.460],
"number_observations": 68535,
"number_observations_unique": 10807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [4.470,3.870],
"number_observations": 58294,
"number_observations_unique": 9566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [5.480,4.470],
"number_observations": 47035,
"number_observations_unique": 7944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [7.740,5.480],
"number_observations": 41498,
"number_observations_unique": 6412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [49.954,7.740],
"number_observations": 21384,
"number_observations_unique": 3559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}