Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d693633a935c1524abf76cbefb9c19f5",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 127.049,
"b": 127.049,
"c": 101.448,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.590,2.200],
"number_observations": 1001482,
"number_observations_unique": 24924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 40.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 2029,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.754
},
{
"type": "R(meas)",
"value": 6.848
},
{
"type": "R(pim)",
"value": 1.113
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 36.500
},
{
"type": "CC(1/2)",
"value": 0.359
}
]
},
{
"resolution_limits": [41.590,9.080],
"number_observations_unique": 417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.004
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 31.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}