Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f6ee88fb0b27cac7b05557d5230a2c7",
"space_group_name": "P 63",
"unit_cell": {
"a": 150.683,
"b": 150.683,
"c": 110.299,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.35502],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.320,2.900],
"number_observations": 315006,
"number_observations_unique": 31377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.572
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
"refln_shells": [
{
"resolution_limits": [3.060,2.900],
"number_observations": 46347,
"number_observations_unique": 4543,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.806
},
{
"type": "R(meas)",
"value": 2.952
},
{
"type": "R(pim)",
"value": 0.912
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [49.320,9.170],
"number_observations": 10608,
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}