Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04e27d384db21f2e35a674de41e92886",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.522,
"b": 71.522,
"c": 150.607,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,1.540],
"number_observations": 720877,
"number_observations_unique": 58049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 30126,
"number_observations_unique": 2842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "R(meas)",
"value": 0.808
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [29.440,8.170],
"number_observations": 4797,
"number_observations_unique": 486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 33.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}