Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "62bf99fe8f906aaf4216523261dcf25a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.218,
"b": 71.218,
"c": 149.853,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.310,1.180],
"number_observations": 1099439,
"number_observations_unique": 113367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.180],
"number_observations": 869,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.700
},
{
"type": "R(meas)",
"value": 3.794
},
{
"type": "R(pim)",
"value": 2.662
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 13.200
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.043
}
]
},
{
"resolution_limits": [29.310,6.470],
"number_observations": 10534,
"number_observations_unique": 916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}