Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05928de8d35fd25a6cb152dc3f0b6f41",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.093,
"b": 58.167,
"c": 49.453,
"alpha": 90.0,
"beta": 115.9,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.580],
"number_observations": 111226,
"number_observations_unique": 32581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 8140,
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.702
},
{
"type": "R(meas)",
"value": 0.828
},
{
"type": "R(pim)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [29.080,7.050],
"number_observations": 1354,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}