Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b59eeaf3051e2ede436fe09299364c2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.487,
"b": 93.011,
"c": 163.260,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.990,1.970],
"number_observations": 335728,
"number_observations_unique": 53308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 23864,
"number_observations_unique": 3930,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.115
},
{
"type": "R(meas)",
"value": 1.223
},
{
"type": "R(pim)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.395
}
]
},
{
"resolution_limits": [92.990,8.810],
"number_observations": 3895,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}