Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e5458882a857f0b54ee888e4ed6fd33",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 63.229,
"b": 65.147,
"c": 109.681,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.150,2.210],
"number_observations": 115339,
"number_observations_unique": 22427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.210],
"number_observations": 3184,
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 1.103
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 75.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
},
{
"resolution_limits": [65.150,8.850],
"number_observations": 2022,
"number_observations_unique": 403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}