Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e4c11b80f61cea64893b89235366d8f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.96,
"b": 85.89,
"c": 127.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.630,1.450],
"number_observations": 589836,
"number_observations_unique": 86161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations": 37768,
"number_observations_unique": 6040,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.169
},
{
"type": "R(meas)",
"value": 1.276
},
{
"type": "R(pim)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [63.630,6.480],
"number_observations": 7285,
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}