Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8e167a56ed262e2a0b4b1c1b4a0ede4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.81,
"b": 45.53,
"c": 83.62,
"alpha": 90.00,
"beta": 102.08,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.070,1.880],
"number_observations": 129295,
"number_observations_unique": 37527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.880],
"number_observations": 9716,
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "R(meas)",
"value": 0.724
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.691
}
]
},
{
"resolution_limits": [39.070,8.410],
"number_observations": 1559,
"number_observations_unique": 456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}