Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a7b525202af4e8c3723e15d3ed0cf87",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.225,
"b": 71.225,
"c": 150.015,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.320,1.430],
"number_observations": 920774,
"number_observations_unique": 72137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.460,1.430],
"number_observations": 36841,
"number_observations_unique": 3651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [29.320,7.560],
"number_observations": 6427,
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 82.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}