Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "515e53e8a52a602e13e20bc903a7e67a",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 74.697,
"b": 98.629,
"c": 207.438,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.620,2.300],
"number_observations": 279649,
"number_observations_unique": 66343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.300],
"number_observations_unique": 4477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [56.620,10.790],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}