Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c680f655ad33231609c7629c5f6e5cb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.68,
"b": 56.92,
"c": 114.95,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.790,1.470],
"number_observations": 382937,
"number_observations_unique": 58533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 26152,
"number_observations_unique": 4247,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.634
},
{
"type": "R(meas)",
"value": 1.786
},
{
"type": "R(pim)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
},
{
"resolution_limits": [31.790,6.570],
"number_observations": 4483,
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 65.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}