Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce8a0d9c1f8343ad7dc4458e921dd64b",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 99.837,
"b": 99.837,
"c": 99.014,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.120,1.960],
"number_observations": 133103,
"number_observations_unique": 13810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 9839,
"number_observations_unique": 1002,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.227
},
{
"type": "R(meas)",
"value": 3.406
},
{
"type": "R(pim)",
"value": 1.081
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.502
}
]
},
{
"resolution_limits": [65.120,8.770],
"number_observations": 1658,
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}