Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebf706938795f58b6c4a67cbe0513556",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.027,
"b": 56.987,
"c": 115.263,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.990,1.320],
"number_observations": 479024,
"number_observations_unique": 81236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.320],
"number_observations": 24863,
"number_observations_unique": 5824,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.180
},
{
"type": "R(meas)",
"value": 1.349
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [56.990,5.900],
"number_observations": 6169,
"number_observations_unique": 1048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 74.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}