Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f9f3d5656b153d0c2a4bef5ddec5f36f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.522,
"b": 84.067,
"c": 59.112,
"alpha": 90.00,
"beta": 107.91,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.050,1.770],
"number_observations": 331835,
"number_observations_unique": 50265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 14043,
"number_observations_unique": 2804,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.843
},
{
"type": "R(meas)",
"value": 4.289
},
{
"type": "R(pim)",
"value": 1.875
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.361
}
]
},
{
"resolution_limits": [84.050,9.030],
"number_observations": 2458,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 68.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}