Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a54bd78e4eeb923a49d7dac6c7f449f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.768,
"b": 64.539,
"c": 74.526,
"alpha": 90.00,
"beta": 125.84,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.780,2.010],
"number_observations": 125148,
"number_observations_unique": 30321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 8913,
"number_observations_unique": 2188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(meas)",
"value": 0.756
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [34.780,8.970],
"number_observations": 1302,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}