Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1c865aa556ce46bf5fc6a90633999b0d",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 96.69,
"b": 96.69,
"c": 58.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.140,1.850],
"number_observations": 226964,
"number_observations_unique": 14178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 14252,
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.455
},
{
"type": "R(meas)",
"value": 1.500
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 16.900
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [29.140,9.060],
"number_observations": 1687,
"number_observations_unique": 156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 49.600
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}