Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fa92d14c430950afe2a3bc91a637ba54",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.841,
"b": 57.039,
"c": 115.037,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.040,1.480],
"number_observations": 366613,
"number_observations_unique": 57768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.480],
"number_observations": 24796,
"number_observations_unique": 4207,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.461
},
{
"type": "R(meas)",
"value": 1.603
},
{
"type": "R(pim)",
"value": 0.653
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.514
}
]
},
{
"resolution_limits": [115.040,6.620],
"number_observations": 4562,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}