Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "06fdedac7b95a466009655a4fc152fb0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.855,
"b": 56.795,
"c": 114.893,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.910,1.260],
"number_observations": 530521,
"number_observations_unique": 92342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.260],
"number_observations": 25944,
"number_observations_unique": 6713,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.138
},
{
"type": "R(meas)",
"value": 1.319
},
{
"type": "R(pim)",
"value": 0.658
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.482
}
]
},
{
"resolution_limits": [50.910,5.630],
"number_observations": 6943,
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}