Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9e41632932dc0536078241dddfbd337e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.73,
"b": 83.73,
"c": 133.01,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.830,2.250],
"number_observations": 528205,
"number_observations_unique": 26267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 38714,
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.142
},
{
"type": "R(meas)",
"value": 2.197
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [37.830,10.060],
"number_observations": 4916,
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 14.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}