Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20b02571aaa1254b212fbec49cdf4fc2",
"space_group_name": "P 63",
"unit_cell": {
"a": 150.10,
"b": 150.10,
"c": 111.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.800,2.110],
"number_observations": 855147,
"number_observations_unique": 82275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.110],
"number_observations": 126507,
"number_observations_unique": 11957,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.756
},
{
"type": "R(meas)",
"value": 3.945
},
{
"type": "R(pim)",
"value": 1.202
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
},
{
"resolution_limits": [84.800,6.670],
"number_observations": 26779,
"number_observations_unique": 2690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}