Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9c17b8e52ca34d0c426dc62bb097213",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.585,
"b": 79.480,
"c": 54.906,
"alpha": 90.00,
"beta": 104.55,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.180,1.890],
"number_observations": 128492,
"number_observations_unique": 34956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 5230,
"number_observations_unique": 1778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.622
},
{
"type": "R(pim)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
},
{
"resolution_limits": [44.180,9.080],
"number_observations": 828,
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}