Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cd63f1d6b66c21f30d66bf7ea429533",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.380,
"b": 56.458,
"c": 102.147,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,1.820],
"number_observations": 193528,
"number_observations_unique": 29340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 13450,
"number_observations_unique": 2063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.921
},
{
"type": "R(meas)",
"value": 1.000
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [29.160,8.120],
"number_observations": 2308,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}