Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8751fdd87d7c82faf66f9919bcbbf332",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.73,
"b": 86.96,
"c": 65.26,
"alpha": 90.00,
"beta": 112.31,
"gamma": 90.00
},
"wavelengths": [0.97921],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.323,2.500],
"number_observations_unique": 20374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 2833,
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(meas)",
"value": 0.806
},
{
"type": "R(pim)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 57.800
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [45.320,9.010],
"number_observations": 1340,
"number_observations_unique": 486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}