Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "be3f9c463399cb8d66d14ddb30b1a3db",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 29.35,
"b": 73.76,
"c": 42.37,
"alpha": 90.00,
"beta": 103.56,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.190,2.400],
"number_observations": 34441,
"number_observations_unique": 6596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 3670,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "R(pim)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [41.190,8.980],
"number_observations": 654,
"number_observations_unique": 131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}