Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4945dc6ef442841dffc5f93892aafde3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.255,
"b": 73.188,
"c": 52.703,
"alpha": 90.00,
"beta": 109.22,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.764,1.270],
"number_observations": 306364,
"number_observations_unique": 83455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 10.780
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.671
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.270],
"number_observations": 47532,
"number_observations_unique": 13023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 2.540
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [1.440,1.350],
"number_observations": 43727,
"number_observations_unique": 12442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [1.550,1.440],
"number_observations": 42142,
"number_observations_unique": 11714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 4.830
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.700,1.550],
"number_observations": 37590,
"number_observations_unique": 10825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 7.080
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.900,1.700],
"number_observations": 37755,
"number_observations_unique": 9945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 11.070
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.200,1.900],
"number_observations": 33362,
"number_observations_unique": 8880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 16.610
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.690,2.200],
"number_observations": 29855,
"number_observations_unique": 7514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 21.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.800,2.690],
"number_observations": 22180,
"number_observations_unique": 5854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 27.910
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [49.764,3.800],
"number_observations": 12221,
"number_observations_unique": 3258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}