Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e8bebf0b1f96b7a9eeb1034810a3818",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 190.443,
"b": 194.147,
"c": 269.857,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.880,2.950],
"number_observations": 843998,
"number_observations_unique": 104696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.950],
"number_observations": 41138,
"number_observations_unique": 5000,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.920
},
{
"type": "R(meas)",
"value": 2.048
},
{
"type": "R(pim)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [47.880,16.160],
"number_observations": 3856,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}