Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4aec886b6b88e5ef977b61eb65330379",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.45,
"b": 79.34,
"c": 149.14,
"alpha": 90.00,
"beta": 92.86,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.430,2.000],
"number_observations": 945765,
"number_observations_unique": 132236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 36673,
"number_observations_unique": 6307,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.095
},
{
"type": "R(meas)",
"value": 3.389
},
{
"type": "R(pim)",
"value": 1.352
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.288
}
]
},
{
"resolution_limits": [46.430,10.970],
"number_observations": 5793,
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}