Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0e5475f032241ca30c369b3a828cea1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.04,
"b": 57.11,
"c": 115.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.840,1.290],
"number_observations": 527141,
"number_observations_unique": 86958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations": 27092,
"number_observations_unique": 6274,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.296
},
{
"type": "R(meas)",
"value": 1.479
},
{
"type": "R(pim)",
"value": 0.700
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [31.840,5.770],
"number_observations": 6535,
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 40.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}