Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2685f5969e9e9a033eff310913281cc1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.88,
"b": 65.02,
"c": 160.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.872,3.200],
"number_observations": 334825,
"number_observations_unique": 10233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.568
},
{
"type": "I/SigI",
"value": 6.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 32.720
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [3.390,3.200],
"number_observations_unique": 1582,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.565
},
{
"type": "R(meas)",
"value": 3.622
},
{
"type": "I/SigI",
"value": 0.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 31.982
},
{
"type": "CC(1/2)",
"value": 0.588
}
]
},
{
"resolution_limits": [3.630,3.390],
"number_observations_unique": 1572,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.704
},
{
"type": "R(meas)",
"value": 1.730
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 33.224
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [3.920,3.630],
"number_observations_unique": 1412,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.044
},
{
"type": "R(meas)",
"value": 1.060
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 33.410
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [4.290,3.920],
"number_observations_unique": 1310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.719
},
{
"type": "I/SigI",
"value": 4.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.605
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [4.800,4.290],
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(meas)",
"value": 0.550
},
{
"type": "I/SigI",
"value": 7.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 33.944
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [5.540,4.800],
"number_observations_unique": 1064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.465
},
{
"type": "I/SigI",
"value": 8.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.708
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [6.780,5.540],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 8.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.290
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [9.560,6.780],
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 18.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 31.913
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [45.872,9.560],
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 23.390
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 30.944
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}