Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99d6371102466ca52a054b4d72098d8d",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 97.605,
"b": 97.605,
"c": 139.455,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.530,1.7190],
"number_observations_unique": 42463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.720],
"number_observations": 107937,
"number_observations_unique": 6110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.700
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [84.530,5.430],
"number_observations": 26052,
"number_observations_unique": 1547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 58.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}