Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c9704f06aedc7849cc3da496a44eeaa",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 39.285,
"b": 39.285,
"c": 215.321,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.060,2.400],
"number_observations": 24240,
"number_observations_unique": 4256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 2603,
"number_observations_unique": 436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [43.060,8.980],
"number_observations": 451,
"number_observations_unique": 117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}