Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00dc866569d0241e3df360eeeb9a88b3",
"space_group_name": "P 6 2 2",
"unit_cell": {
"a": 108.50,
"b": 108.50,
"c": 148.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.980,3.100],
"number_observations": 138765,
"number_observations_unique": 9949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 25116,
"number_observations_unique": 1745,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.137
},
{
"type": "R(meas)",
"value": 1.180
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [46.980,8.770],
"number_observations": 6208,
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}