Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc1cc8ca3580faca5db6c6f3b049bcc7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.46,
"b": 51.38,
"c": 78.93,
"alpha": 90.00,
"beta": 92.49,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.050,1.6580],
"number_observations_unique": 41800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations": 9875,
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.733
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [43.050,9.080],
"number_observations": 1534,
"number_observations_unique": 271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}