Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ad8558a6aa907b2e0e5ccba578df630",
"space_group_name": "P 43",
"unit_cell": {
"a": 60.616,
"b": 60.616,
"c": 35.849,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.880,1.910],
"number_observations": 140194,
"number_observations_unique": 10254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 9706,
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.458
},
{
"type": "R(meas)",
"value": 5.665
},
{
"type": "R(pim)",
"value": 1.506
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 0.256
}
]
},
{
"resolution_limits": [42.880,8.960],
"number_observations": 1229,
"number_observations_unique": 117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 52.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
}
]
}