Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0129e255a036c5df353abf882fd8122b",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.436,
"b": 71.436,
"c": 150.504,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.410,1.470],
"number_observations": 842313,
"number_observations_unique": 66301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 35227,
"number_observations_unique": 3166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.932
},
{
"type": "R(meas)",
"value": 0.975
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [29.410,7.940],
"number_observations": 6006,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 47.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}