Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b674e66b083ee80fd3ccb3cbb014eb94",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.948,
"b": 82.199,
"c": 32.246,
"alpha": 90.00,
"beta": 117.73,
"gamma": 90.00
},
"wavelengths": [0.91808],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.200,1.160],
"number_observations": 107189,
"number_observations_unique": 33905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 69.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.180,1.160],
"number_observations": 74,
"number_observations_unique": 63,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 2.600
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [82.200,6.380],
"number_observations": 1139,
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 82.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}