Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76b8c48d9dfab0e2f8dd6069e3e6bb7d",
"space_group_name": "P 43",
"unit_cell": {
"a": 60.917,
"b": 60.917,
"c": 35.653,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.080,1.920],
"number_observations": 139496,
"number_observations_unique": 10230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.920],
"number_observations": 9520,
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.518
},
{
"type": "R(meas)",
"value": 3.652
},
{
"type": "R(pim)",
"value": 0.975
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.268
}
]
},
{
"resolution_limits": [43.080,8.990],
"number_observations": 1206,
"number_observations_unique": 114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 47.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}