Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b2e1fb1372aca78d2329116b8ac2c769",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.506,
"b": 96.285,
"c": 163.288,
"alpha": 90.00,
"beta": 92.33,
"gamma": 90.00
},
"wavelengths": [0.97908,0.96406,0.97929],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations": 2416688,
"number_observations_unique": 319011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.600],
"number_observations_unique": 31290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.680
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [1.720,1.660],
"number_observations_unique": 31340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [1.800,1.720],
"number_observations_unique": 31504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [1.900,1.800],
"number_observations_unique": 31658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.020,1.900],
"number_observations_unique": 31777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.170,2.020],
"number_observations_unique": 31880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.390,2.170],
"number_observations_unique": 32036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.740,2.390],
"number_observations_unique": 32207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.450,2.740],
"number_observations_unique": 32457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,3.450],
"number_observations_unique": 32862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}