Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05d820aa4849371517f7dde2d7b6305e",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 105.692,
"b": 132.302,
"c": 56.344,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.080,2.160],
"number_observations": 290468,
"number_observations_unique": 42873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 22760,
"number_observations_unique": 3569,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.670
},
{
"type": "R(meas)",
"value": 1.817
},
{
"type": "R(pim)",
"value": 0.709
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [49.080,8.930],
"number_observations": 4254,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}