Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c62ff5e1ca763aa231aab5029ac798d2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.006,
"b": 86.109,
"c": 127.911,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.430,1.570],
"number_observations": 452476,
"number_observations_unique": 71383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.570],
"number_observations": 29621,
"number_observations_unique": 5087,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.285
},
{
"type": "R(meas)",
"value": 1.416
},
{
"type": "R(pim)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.269
}
]
},
{
"resolution_limits": [71.430,7.020],
"number_observations": 5886,
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}