Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f00846c6a1b5479f6a7ad5ccf9dac135",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.307,
"b": 95.307,
"c": 45.701,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.380,1.210],
"number_observations": 583600,
"number_observations_unique": 58889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.230,1.210],
"number_observations": 3052,
"number_observations_unique": 1700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.890
},
{
"type": "R(meas)",
"value": 1.177
},
{
"type": "R(pim)",
"value": 0.761
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 55.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
},
{
"resolution_limits": [67.380,6.630],
"number_observations": 5180,
"number_observations_unique": 414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 106.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}