Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3252ca9c4232a644de38c62f956eb8c3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.115,
"b": 59.748,
"c": 94.318,
"alpha": 90.0,
"beta": 92.3,
"gamma": 90.0
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.060,1.500],
"number_observations": 338942,
"number_observations_unique": 98436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 16611,
"number_observations_unique": 4795,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.138
},
{
"type": "R(meas)",
"value": 1.346
},
{
"type": "R(pim)",
"value": 0.711
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.583
}
]
},
{
"resolution_limits": [49.060,8.220],
"number_observations": 2187,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}