Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f1f3764cac268e544a1949db29b2c46e",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 66.999,
"b": 66.999,
"c": 166.730,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.620,1.850],
"number_observations": 491795,
"number_observations_unique": 19812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 30267,
"number_observations_unique": 1185,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.511
},
{
"type": "R(meas)",
"value": 3.581
},
{
"type": "R(pim)",
"value": 0.695
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.500
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [47.620,9.060],
"number_observations": 4702,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}