Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30fe003f497042f7e3d073932e175fb9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 56.20,
"b": 88.15,
"c": 122.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.390,2.600],
"number_observations": 69144,
"number_observations_unique": 9684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 8449,
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.421
},
{
"type": "R(meas)",
"value": 1.530
},
{
"type": "R(pim)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [47.390,9.010],
"number_observations": 1555,
"number_observations_unique": 273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}