Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61417d05f2db90f7c4749eee9f44dff4",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.293,
"b": 71.293,
"c": 150.135,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.350,1.400],
"number_observations": 953225,
"number_observations_unique": 77423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 27112,
"number_observations_unique": 3914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "R(meas)",
"value": 0.831
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [29.350,7.390],
"number_observations": 6905,
"number_observations_unique": 638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 54.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}