Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23fc2d9247594abadad4a0d33a8b9b78",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.02,
"b": 82.04,
"c": 32.12,
"alpha": 90.00,
"beta": 117.89,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.040,1.160],
"number_observations": 139369,
"number_observations_unique": 45587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.160],
"number_observations": 5812,
"number_observations_unique": 2799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 1.036
},
{
"type": "R(pim)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [82.040,5.190],
"number_observations": 1755,
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}