Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ad17f8940d461dd8b187e251723d8e7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.440,
"b": 96.681,
"c": 57.888,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.940,1.710],
"number_observations": 162866,
"number_observations_unique": 25160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 6467,
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.833
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [28.940,8.890],
"number_observations": 1309,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}