Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "114ed76c0b4815cd8c3fd29944fece4f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.658,
"b": 124.862,
"c": 60.938,
"alpha": 90.00,
"beta": 117.52,
"gamma": 90.00
},
"wavelengths": [0.97944],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.020,1.950],
"number_observations": 216124,
"number_observations_unique": 55703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 15195,
"number_observations_unique": 3879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [48.020,8.940],
"number_observations": 2154,
"number_observations_unique": 604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}