Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b34df5fef68c4f270b413d5fc43f598f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.79,
"b": 59.94,
"c": 77.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97864],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.460,1.500],
"number_observations": 463797,
"number_observations_unique": 37971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 25840,
"number_observations_unique": 2665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.801
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [42.460,6.710],
"number_observations": 5995,
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}