Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c67a9f8a9409f984bbfc18398915a57",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 104.267,
"b": 60.901,
"c": 119.050,
"alpha": 90.00,
"beta": 90.57,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.050],
"number_observations": 496602,
"number_observations_unique": 92155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.050],
"number_observations_unique": 9354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 0.934
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations_unique": 9300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "R(meas)",
"value": 0.676
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 9325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 9323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "R(meas)",
"value": 0.415
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [2.580,2.430],
"number_observations_unique": 9230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.146
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.780,2.580],
"number_observations_unique": 9200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.060,2.780],
"number_observations_unique": 9043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.510,3.060],
"number_observations_unique": 8938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.420,3.510],
"number_observations_unique": 8977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [50.000,4.420],
"number_observations_unique": 9465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}