Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6193392ce96f696d79bf32a05eb9e61a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.133,
"b": 111.844,
"c": 165.007,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.2219,1.910],
"number_observations_unique": 75859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 32831,
"number_observations_unique": 4422,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.024
},
{
"type": "R(meas)",
"value": 4.325
},
{
"type": "R(pim)",
"value": 1.569
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.416
}
]
},
{
"resolution_limits": [39.210,9.550],
"number_observations": 9769,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}