Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "348ccf0ec5f79cf8229b9b0eefb4a787",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.759,
"b": 70.230,
"c": 127.990,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97793],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.800,1.500],
"number_observations": 1117687,
"number_observations_unique": 91278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 55607,
"number_observations_unique": 4471,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.189
},
{
"type": "R(meas)",
"value": 1.240
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [46.800,8.220],
"number_observations": 8190,
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}