Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07373bb1d71f976875dd4fd52d786202",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 102.570,
"b": 102.570,
"c": 104.336,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.25,1.650],
"number_observations_unique": 67404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 39779,
"number_observations_unique": 3396,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.684
},
{
"type": "R(meas)",
"value": 3.862
},
{
"type": "R(pim)",
"value": 1.142
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.390
}
]
},
{
"resolution_limits": [73.140,8.890],
"number_observations": 7121,
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}