Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cff318247d4181697025d13a2bdb2c85",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.855,
"b": 96.473,
"c": 57.688,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.840,1.750],
"number_observations": 151283,
"number_observations_unique": 23232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 6940,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 0.973
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [28.840,9.100],
"number_observations": 1200,
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}