Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0eb678d7407c9116fc8f568d91228e8",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.665,
"b": 71.665,
"c": 150.762,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.490,1.490],
"number_observations": 834735,
"number_observations_unique": 65127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.490],
"number_observations": 35935,
"number_observations_unique": 3169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 0.901
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [29.490,8.010],
"number_observations": 5885,
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 95.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}