Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30fa47bc24283abaa988e9b040a31630",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 99.81,
"b": 99.81,
"c": 164.11,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.280,3.320],
"number_observations": 70094,
"number_observations_unique": 12828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.580,3.320],
"number_observations": 11564,
"number_observations_unique": 2511,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.335
},
{
"type": "R(pim)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [85.280,8.770],
"number_observations": 3937,
"number_observations_unique": 790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}