Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60aceb60d5caa366a60f99d9143dd320",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 175.566,
"b": 96.924,
"c": 124.753,
"alpha": 90.00,
"beta": 102.86,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.620,1.700],
"number_observations": 1365156,
"number_observations_unique": 192812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.700],
"number_observations": 210332,
"number_observations_unique": 32613,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.874
},
{
"type": "R(meas)",
"value": 2.039
},
{
"type": "R(pim)",
"value": 0.791
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [121.620,5.360],
"number_observations": 51426,
"number_observations_unique": 7309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}