Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c874c198c88e1e42711684eb88871441",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.270,
"b": 40.022,
"c": 110.727,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.270,1.550],
"number_observations": 168776,
"number_observations_unique": 25493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 7208,
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.463
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [38.270,8.490],
"number_observations": 1067,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 74.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}