Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43f9d4b59df4662de68f5cd26a6198f9",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.980,
"b": 54.232,
"c": 76.191,
"alpha": 104.02,
"beta": 100.50,
"gamma": 108.86
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.940,1.800],
"number_observations": 216976,
"number_observations_unique": 59009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 13292,
"number_observations_unique": 3503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.773
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [47.940,9.000],
"number_observations": 1771,
"number_observations_unique": 466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}