Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78f7b0f49eddc57d5ba5d2a256c0af75",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.190,
"b": 129.492,
"c": 156.019,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97810],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.768,2.310],
"number_observations_unique": 67351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 16.810
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.310],
"number_observations_unique": 10442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 5.310
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations_unique": 10031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.820,2.620],
"number_observations_unique": 9352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 9.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.090,2.820],
"number_observations_unique": 8640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.460,3.090],
"number_observations_unique": 7832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.990,3.460],
"number_observations_unique": 6903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 26.280
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.880,3.990],
"number_observations_unique": 5923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.860,4.880],
"number_observations_unique": 4674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 30.440
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [48.768,6.860],
"number_observations_unique": 2760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 39.860
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}