Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd68ae65b0d6230d6a164bef0ab7335a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.675,
"b": 70.675,
"c": 195.449,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.720,2.200],
"number_observations": 411384,
"number_observations_unique": 25765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.683
},
{
"type": "R(meas)",
"value": 0.705
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 60663,
"number_observations_unique": 3649,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.454
},
{
"type": "R(meas)",
"value": 9.739
},
{
"type": "R(pim)",
"value": 2.319
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [97.720,6.960],
"number_observations": 12708,
"number_observations_unique": 963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}