Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f0beeaca4902308bf9d6a83bc8b7090",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 96.584,
"b": 96.584,
"c": 216.361,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.020,1.700],
"number_observations": 958641,
"number_observations_unique": 113613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 33306,
"number_observations_unique": 4692,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.226
},
{
"type": "R(meas)",
"value": 1.320
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 74.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.533
}
]
},
{
"resolution_limits": [78.020,9.310],
"number_observations": 7782,
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}