Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76d31a7273a24a0927d73d094ace9b70",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 195.756,
"b": 87.420,
"c": 57.059,
"alpha": 90.00,
"beta": 100.61,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.100,2.000],
"number_observations": 437879,
"number_observations_unique": 63906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 30207,
"number_observations_unique": 4501,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.894
},
{
"type": "R(meas)",
"value": 2.054
},
{
"type": "R(pim)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [48.100,9.170],
"number_observations": 5050,
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}