Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aba4a5d546438eecc9635f5bb21aaf11",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 168.49,
"b": 168.49,
"c": 52.10,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.31800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.070,2.400],
"number_observations": 880812,
"number_observations_unique": 33390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 73565,
"number_observations_unique": 3489,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.301
},
{
"type": "R(meas)",
"value": 2.355
},
{
"type": "R(pim)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [49.070,8.980],
"number_observations": 27827,
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 57.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 40.300
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
}
]
}