Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "03df054f243c63d57a8201cc4fb59d0b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 93.704,
"b": 72.833,
"c": 103.988,
"alpha": 90.00,
"beta": 90.71,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.850,2.100],
"number_observations": 416245,
"number_observations_unique": 81929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 22048,
"number_observations_unique": 4526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.820
},
{
"type": "R(meas)",
"value": 0.920
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [46.850,10.910],
"number_observations": 2983,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}