Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3386a3be1aa13791da6cd3a4b3a2a40",
"space_group_name": "P 65",
"unit_cell": {
"a": 97.111,
"b": 97.111,
"c": 78.955,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.360,2.660],
"number_observations": 223541,
"number_observations_unique": 11558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.790,2.660],
"number_observations": 31485,
"number_observations_unique": 1580,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.626
},
{
"type": "R(meas)",
"value": 1.669
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [41.360,8.810],
"number_observations": 5201,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}