Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f18435a2bfce56d638218c6630970b6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 118.015,
"b": 64.576,
"c": 74.603,
"alpha": 90.00,
"beta": 125.91,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.790,2.190],
"number_observations": 96212,
"number_observations_unique": 23230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.190],
"number_observations": 7714,
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [34.790,9.050],
"number_observations": 1248,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}