Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf1395b0cb553fb0f14a4a8d4e250bb6",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 58.501,
"b": 58.501,
"c": 161.858,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97952],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.410,3.100],
"number_observations": 50706,
"number_observations_unique": 5598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 9264,
"number_observations_unique": 973,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.457
},
{
"type": "R(meas)",
"value": 1.539
},
{
"type": "R(pim)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [47.410,8.770],
"number_observations": 2131,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}