Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "101c0b279375523408152979135e0c03",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.804,
"b": 88.804,
"c": 39.515,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88559],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,0.980],
"number_observations": 1087880,
"number_observations_unique": 176034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.000,0.980],
"number_observations": 29199,
"number_observations_unique": 8325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.868
},
{
"type": "R(meas)",
"value": 1.020
},
{
"type": "R(pim)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [44.400,5.370],
"number_observations": 8057,
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}