Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96e5cc20534f37e3f3b13e98dc6f865e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.017,
"b": 41.028,
"c": 71.476,
"alpha": 90.00,
"beta": 104.45,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.780,1.286],
"number_observations_unique": 57496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 2452,
"number_observations_unique": 1681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "R(meas)",
"value": 0.501
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 57.000
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [31.780,7.050],
"number_observations": 1806,
"number_observations_unique": 393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}