Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dc81ae6e5ecf6fafcf6e1fd982c8281",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.342,
"b": 73.046,
"c": 52.853,
"alpha": 90.00,
"beta": 109.56,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.725,1.180],
"number_observations": 334009,
"number_observations_unique": 100479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.650
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.324
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.180],
"number_observations": 29282,
"number_observations_unique": 12073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 70.300
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [1.340,1.250],
"number_observations": 51250,
"number_observations_unique": 15537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 4.040
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.440,1.340],
"number_observations": 50649,
"number_observations_unique": 14904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.580,1.440],
"number_observations": 48934,
"number_observations_unique": 13775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 9.060
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.770,1.580],
"number_observations": 42545,
"number_observations_unique": 12486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 12.710
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.040,1.770],
"number_observations": 39411,
"number_observations_unique": 11042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 19.490
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.500,2.040],
"number_observations": 32445,
"number_observations_unique": 9340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 25.290
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.530,2.500],
"number_observations": 25120,
"number_observations_unique": 7263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [42.725,3.530],
"number_observations": 14373,
"number_observations_unique": 4059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 33.940
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}