Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00c23dc2bf58b4dd475d5d0a83edf8cf",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.663,
"b": 71.663,
"c": 150.645,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.490,1.140],
"number_observations": 1231130,
"number_observations_unique": 120605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 84.700
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 1080,
"number_observations_unique": 728,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.466
},
{
"type": "R(meas)",
"value": 1.956
},
{
"type": "R(pim)",
"value": 1.279
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 10.600
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.120
}
]
},
{
"resolution_limits": [29.490,6.260],
"number_observations": 12964,
"number_observations_unique": 1031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 62.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}