Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "938edaf56cb2135e360805afba5976ea",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.254,
"b": 89.753,
"c": 100.108,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.830,1.660],
"number_observations": 286006,
"number_observations_unique": 31073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 37.300
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.660],
"number_observations": 7197,
"number_observations_unique": 3072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "R(pim)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 60.000
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [66.830,5.230],
"number_observations": 14341,
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 81.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}