Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f705fc61357062f8f98895a5f3759a0a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.166,
"b": 65.124,
"c": 90.978,
"alpha": 90.00,
"beta": 101.33,
"gamma": 90.00
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.120,1.9980],
"number_observations_unique": 63743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 32759,
"number_observations_unique": 9266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.906
},
{
"type": "R(meas)",
"value": 1.067
},
{
"type": "R(pim)",
"value": 0.557
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [65.120,6.320],
"number_observations": 7391,
"number_observations_unique": 2122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}