Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55f0ea179bfe3e428a0de1af6283b4de",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.52,
"b": 121.69,
"c": 65.40,
"alpha": 90.00,
"beta": 90.07,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.840,1.900],
"number_observations": 294910,
"number_observations_unique": 71958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 18576,
"number_observations_unique": 4654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.661
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [60.840,9.110],
"number_observations": 2783,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
}
]
}