Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f5fd51da714945ce7deea243e5a23576",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.685,
"b": 42.685,
"c": 217.447,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [217.480,1.740],
"number_observations": 552991,
"number_observations_unique": 22005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 25.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 30427,
"number_observations_unique": 1203,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.384
},
{
"type": "R(meas)",
"value": 3.453
},
{
"type": "R(pim)",
"value": 0.682
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 25.300
},
{
"type": "CC(1/2)",
"value": 0.295
}
]
},
{
"resolution_limits": [217.480,8.860],
"number_observations": 3617,
"number_observations_unique": 243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 27.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}