Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f03e2082b1b01d0e4d86920118a86a46",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.59,
"b": 129.05,
"c": 129.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.630,2.720],
"number_observations": 192029,
"number_observations_unique": 28530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.720],
"number_observations": 14066,
"number_observations_unique": 2101,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.858
},
{
"type": "R(meas)",
"value": 2.016
},
{
"type": "R(pim)",
"value": 0.776
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [55.630,12.170],
"number_observations": 2188,
"number_observations_unique": 377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}