Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a1ae9b63e0510d1e0012afc1da56568",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.358,
"b": 75.921,
"c": 152.381,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.1200,1.900],
"number_observations_unique": 38804,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 54.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 122697,
"number_observations_unique": 2443,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.366
},
{
"type": "R(meas)",
"value": 5.420
},
{
"type": "R(pim)",
"value": 0.759
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 50.200
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [38.100,9.110],
"number_observations": 19511,
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 81.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 45.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}