Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cdfd175d9c0e942e28e45fa11b192a08",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 98.703,
"b": 110.935,
"c": 160.626,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.24,2.406],
"number_observations_unique": 69083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.414,2.406],
"number_observations": 4567,
"number_observations_unique": 678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [84.095,11.160],
"number_observations": 4458,
"number_observations_unique": 796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 39.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}