Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb77056da25f13080fb0e67b37ab1ae4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.891,
"b": 95.807,
"c": 57.453,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.730,2.230],
"number_observations": 66714,
"number_observations_unique": 11246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.230],
"number_observations": 5670,
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [28.730,8.340],
"number_observations": 1486,
"number_observations_unique": 247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}