Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ef8e428029eae4b1bb6b3abc238b7c39",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.983,
"b": 80.251,
"c": 68.319,
"alpha": 90.0,
"beta": 130.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.010,1.170],
"number_observations": 940952,
"number_observations_unique": 142903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.170],
"number_observations": 68542,
"number_observations_unique": 10549,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.230
},
{
"type": "R(meas)",
"value": 1.337
},
{
"type": "R(pim)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [52.010,5.230],
"number_observations": 12302,
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}