Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1382802f949a777aa95db554e024b832",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 31.773,
"b": 56.655,
"c": 60.597,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98012],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.384,1.150],
"number_observations_unique": 39372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 10.040
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.35
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.150],
"number_observations_unique": 6079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.769
},
{
"type": "I/SigI",
"value": 1.750
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations_unique": 5922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [1.410,1.300],
"number_observations_unique": 5548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 3.670
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.540,1.410],
"number_observations_unique": 5154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 6.060
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.720,1.540],
"number_observations_unique": 4687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 10.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.990,1.720],
"number_observations_unique": 4146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 16.350
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.430,1.990],
"number_observations_unique": 3539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 21.930
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.430,2.430],
"number_observations_unique": 2770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 26.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [41.384,3.430],
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 30.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}