Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b28cd098b7793bbc0a73734cd75b5cc",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.671,
"b": 42.671,
"c": 217.064,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.270,2.030],
"number_observations": 350111,
"number_observations_unique": 13979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.030],
"number_observations": 51850,
"number_observations_unique": 1954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 13.077
},
{
"type": "R(pim)",
"value": 2.535
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.500
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [54.270,6.420],
"number_observations": 10822,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}