Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a8accdd5c8b6e17e14743d31764e553",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 188.505,
"b": 188.505,
"c": 117.278,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.362,3.200],
"number_observations_unique": 20744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.200],
"number_observations": 59067,
"number_observations_unique": 3657,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.798
},
{
"type": "R(meas)",
"value": 2.888
},
{
"type": "R(pim)",
"value": 0.709
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [49.360,9.050],
"number_observations": 13065,
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 60.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}