Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e4b8f55536c18c2a79833f9b379541a0",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 123.763,
"b": 123.763,
"c": 147.480,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [147.48,2.86],
"number_observations_unique": 27187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "R(meas)",
"value": 0.621
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [147.48,9.04],
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.01,2.86],
"number_observations_unique": 3915,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.658
},
{
"type": "R(meas)",
"value": 6.265
},
{
"type": "R(pim)",
"value": 2.670
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.236
}
]
}
]
}