Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d9c0bf8a7e70a04fe3b749c18b54c2f",
"space_group_name": "P 32",
"unit_cell": {
"a": 99.05,
"b": 99.05,
"c": 167.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.180,3.260],
"number_observations": 306181,
"number_observations_unique": 28368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.460,3.260],
"number_observations": 51725,
"number_observations_unique": 4601,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.441
},
{
"type": "R(meas)",
"value": 2.558
},
{
"type": "R(pim)",
"value": 0.763
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [38.180,9.780],
"number_observations": 10949,
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}