Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0582607bf3f64070900f764f9f68b463",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 151.995,
"b": 163.666,
"c": 197.782,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03316],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,4.200],
"number_observations": 280372,
"number_observations_unique": 35874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
"refln_shells": [
{
"resolution_limits": [4.350,4.200],
"number_observations_unique": 3024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.740
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "Completeness",
"value": 82.600
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [4.520,4.350],
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [4.730,4.520],
"number_observations_unique": 3404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "R(meas)",
"value": 0.555
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.784
}
]
},
{
"resolution_limits": [4.980,4.730],
"number_observations_unique": 3594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.488
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [5.290,4.980],
"number_observations_unique": 3682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.508
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [5.700,5.290],
"number_observations_unique": 3692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [6.270,5.700],
"number_observations_unique": 3731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.383
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [7.180,6.270],
"number_observations_unique": 3738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [9.030,7.180],
"number_observations_unique": 3788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [50.000,9.030],
"number_observations_unique": 3943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}