Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69fac289e929917faee2e34bd270534a",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 181.488,
"b": 181.488,
"c": 96.030,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.26,3.1],
"number_observations_unique": 28076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 19.12
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
"refln_shells": [
{
"resolution_limits": [3.29,3.10],
"number_observations_unique": 4491,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.0380000000000003
},
{
"type": "R(meas)",
"value": 2.154
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [3.51,3.29],
"number_observations_unique": 4240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9640000000000001
},
{
"type": "R(meas)",
"value": 1.018
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [3.79,3.51],
"number_observations_unique": 3939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.40399999999999997
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [4.15,3.79],
"number_observations_unique": 3639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.18100000000000002
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.64,4.15],
"number_observations_unique": 3275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.08900000000000001
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.35,4.64],
"number_observations_unique": 2908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.53,5.35],
"number_observations_unique": 2475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052000000000000005
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [9.16,6.53],
"number_observations_unique": 1951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036000000000000004
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
},
{
"resolution_limits": [49.26,9.16],
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027999999999999997
},
{
"type": "R(meas)",
"value": 0.03
},
{
"type": "CC(1/2)",
"value": 0.9990000000000001
}
]
}
]
}