Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aaff1f235f6c53b2f037025310b1fbc5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 148.21,
"b": 70.04,
"c": 149.93,
"alpha": 90.00,
"beta": 109.43,
"gamma": 90.00
},
"wavelengths": [0.98400,1.73598],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.040,2.700],
"number_observations_unique": 39543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.810,2.700],
"number_observations_unique": 4395,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.654
},
{
"type": "R(meas)",
"value": 2.046
},
{
"type": "R(pim)",
"value": 1.188
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.144
}
]
},
{
"resolution_limits": [73.040,9.740],
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
}
]
}