Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd1d36d948aa8cd4670a91203cb1b425",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.266,
"b": 41.046,
"c": 71.087,
"alpha": 90.00,
"beta": 104.45,
"gamma": 90.00
},
"wavelengths": [0.97978],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.500],
"number_observations": 98515,
"number_observations_unique": 36146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 11.740
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.725
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.500],
"number_observations_unique": 5450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 2.621
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [1.700,1.590],
"number_observations_unique": 5542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.776
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [1.840,1.700],
"number_observations_unique": 5175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.770
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.010,1.840],
"number_observations_unique": 4743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 9.590
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.764
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.250,2.010],
"number_observations_unique": 4287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 14.130
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.743
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.600,2.250],
"number_observations_unique": 3809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 17.910
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.747
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.180,2.600],
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 23.330
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.709
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.480,3.180],
"number_observations_unique": 2506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 28.780
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 2.670
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [30.000,4.480],
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 29.600
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 2.663
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}