Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e07e5b8d5c592997be99ae15bba9050c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.943,
"b": 52.908,
"c": 44.529,
"alpha": 90.00,
"beta": 103.09,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.970,1.780],
"number_observations": 89705,
"number_observations_unique": 24624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 4531,
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.558
},
{
"type": "R(meas)",
"value": 1.859
},
{
"type": "R(pim)",
"value": 0.997
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.321
}
]
},
{
"resolution_limits": [54.970,9.070],
"number_observations": 784,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}