Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "024f1d3e59ab24d504c5bfb65fefa8b6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.070,
"b": 60.594,
"c": 57.846,
"alpha": 90.00,
"beta": 98.65,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.590,1.410],
"number_observations": 195102,
"number_observations_unique": 61717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.410],
"number_observations": 11120,
"number_observations_unique": 4423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(meas)",
"value": 0.992
},
{
"type": "R(pim)",
"value": 0.576
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [60.590,6.310],
"number_observations": 2427,
"number_observations_unique": 741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}