Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7cea60f251a552f2eb7f14790ad53bab",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.624,
"b": 89.399,
"c": 95.599,
"alpha": 90.00,
"beta": 111.56,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.213,2.340],
"number_observations_unique": 43292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 85.54
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.340],
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.499
},
{
"type": "R(meas)",
"value": 1.34
},
{
"type": "R(pim)",
"value": 1.026
},
{
"type": "Completeness",
"value": 73.36
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.390
}
]
},
{
"resolution_limits": [45.213,9.060],
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
}
]
}