Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b7492a01ac467ff60e60e7a8befe85b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.300,
"b": 56.388,
"c": 101.841,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.590],
"number_observations": 285431,
"number_observations_unique": 43503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.590],
"number_observations": 19128,
"number_observations_unique": 3120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.873
},
{
"type": "R(meas)",
"value": 0.953
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [29.080,7.110],
"number_observations": 3563,
"number_observations_unique": 570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 84.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}