Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af9d8348daf26a911809a50de2c19cee",
"space_group_name": "P 4",
"unit_cell": {
"a": 119.29,
"b": 119.29,
"c": 44.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.720,1.850],
"number_observations_unique": 52803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 9655,
"number_observations_unique": 3200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [59.640,9.060],
"number_observations": 1756,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}