Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2de583c8ffe407ec3e23bdad0604a07",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.639,
"b": 45.314,
"c": 83.296,
"alpha": 90.00,
"beta": 102.25,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.410,1.580],
"number_observations": 217000,
"number_observations_unique": 62941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 15602,
"number_observations_unique": 4455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [28.410,7.060],
"number_observations": 2606,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 65.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}