Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b381639f3b0f17e43609676520a4a74",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.715,
"b": 64.646,
"c": 74.324,
"alpha": 90.00,
"beta": 125.97,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.690,2.010],
"number_observations": 125102,
"number_observations_unique": 29871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 9120,
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [34.690,8.970],
"number_observations": 1311,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}