Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "810d49d46607262cbd918082ec1d88be",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.46,
"b": 38.95,
"c": 89.85,
"alpha": 90.00,
"beta": 103.95,
"gamma": 90.00
},
"wavelengths": [0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.990,1.780],
"number_observations_unique": 37234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations_unique": 2067,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.332
},
{
"type": "R(meas)",
"value": 1.445
},
{
"type": "R(pim)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [52.990,9.080],
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.4
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}