Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "40b546a494de8044e52354321b56361e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.586,
"b": 48.302,
"c": 70.798,
"alpha": 90.0,
"beta": 91.0,
"gamma": 90.0
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.950,1.690],
"number_observations": 230906,
"number_observations_unique": 33827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 1740,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.903
},
{
"type": "R(meas)",
"value": 2.062
},
{
"type": "R(pim)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.363
}
]
},
{
"resolution_limits": [70.950,8.950],
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 30.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}