Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5d02b781154ed4543b4ae2eb01a7066",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.47,
"b": 63.64,
"c": 74.34,
"alpha": 90.00,
"beta": 125.29,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.820,2.300],
"number_observations": 80485,
"number_observations_unique": 20016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 8016,
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [31.820,8.910],
"number_observations": 1251,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}