Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c04e5fe7dd00799307fe8a20126242cc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.16,
"b": 62.81,
"c": 48.84,
"alpha": 90.00,
"beta": 109.78,
"gamma": 90.00
},
"wavelengths": [0.97957],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.550,1.800],
"number_observations": 85056,
"number_observations_unique": 23067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 5383,
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.859
},
{
"type": "R(pim)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [41.550,8.060],
"number_observations": 912,
"number_observations_unique": 267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}