Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c86b0d05259df6036bbacf751fc53d5b",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 178.242,
"b": 178.242,
"c": 178.242,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97935],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.720,2.310],
"number_observations_unique": 41293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.310],
"number_observations": 32913,
"number_observations_unique": 2871,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.346
},
{
"type": "R(meas)",
"value": 2.454
},
{
"type": "R(pim)",
"value": 0.708
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [29.710,10.310],
"number_observations": 6043,
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}