Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05dd287ae9712e3bfedeb9a7d3b3272e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.099,
"b": 40.717,
"c": 94.004,
"alpha": 90.0,
"beta": 121.4,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.120,2.400],
"number_observations": 105021,
"number_observations_unique": 16317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 10942,
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.801
},
{
"type": "R(meas)",
"value": 0.869
},
{
"type": "R(pim)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [40.120,8.980],
"number_observations": 2082,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}