Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc6b942e635bf48eadffd9000ea43383",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 105.770,
"b": 125.092,
"c": 45.120,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.420,1.500],
"number_observations_unique": 96537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 56340,
"number_observations_unique": 4704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [40.380,8.220],
"number_observations": 8771,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}