Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1eb188989685e83bdf0f93d8f6e6a7f3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 104.372,
"b": 178.309,
"c": 105.386,
"alpha": 90.00,
"beta": 119.24,
"gamma": 90.00
},
"wavelengths": [0.95365],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.980,3.430],
"number_observations": 312650,
"number_observations_unique": 44108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.430],
"number_observations": 25174,
"number_observations_unique": 3813,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.095
},
{
"type": "R(meas)",
"value": 2.267
},
{
"type": "R(pim)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [45.980,12.840],
"number_observations": 5523,
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}