Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09a0ede9ef73430dac01cf47f297df6e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.916,
"b": 85.270,
"c": 84.785,
"alpha": 90.00,
"beta": 113.55,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.430,2.260],
"number_observations": 315308,
"number_observations_unique": 46452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.260],
"number_observations": 19763,
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [29.430,10.130],
"number_observations": 3207,
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}