Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3926e24721ae21d650a297eef71d3479",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.547,
"b": 178.936,
"c": 254.417,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.71,3.000],
"number_observations_unique": 58932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,3.000],
"number_observations_unique": 5749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations_unique": 5826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.380,3.230],
"number_observations_unique": 5846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.560,3.380],
"number_observations_unique": 5836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.780,3.560],
"number_observations_unique": 5879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.070,3.780],
"number_observations_unique": 5899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.480,4.070],
"number_observations_unique": 5862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [5.130,4.480],
"number_observations_unique": 5910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [6.460,5.130],
"number_observations_unique": 5988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [40.000,6.460],
"number_observations_unique": 6137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
}
]
}