Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c719cae67e18eb964e935f951e80996",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.36,
"b": 72.64,
"c": 70.27,
"alpha": 90.00,
"beta": 93.29,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.154,2.500],
"number_observations": 75644,
"number_observations_unique": 23946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 12.160
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.159
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 8192,
"number_observations_unique": 2667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.798
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.072
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 6971,
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 2.570
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.111
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [3.000,2.700],
"number_observations": 16462,
"number_observations_unique": 5118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 4.110
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.216
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 16422,
"number_observations_unique": 5152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.188
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 9076,
"number_observations_unique": 2888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 16.430
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.143
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 8903,
"number_observations_unique": 2871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.101
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 4141,
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 25.950
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.250
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 3257,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 31.330
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.234
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 1144,
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 45.420
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.187
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [14.000,10.000],
"number_observations": 721,
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 49.330
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.029
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [17.000,14.000],
"number_observations": 169,
"number_observations_unique": 58,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 47.060
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.914
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [50.000,17.000],
"number_observations": 185,
"number_observations_unique": 72,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 38.150
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.569
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [70.154,50.000],
"number_observations": 1,
"number_observations_unique": 1,
"quality_factors": [
{
"type": "Completeness",
"value": 20.000
},
{
"type": "Redundancy",
"value": 1.000
}
]
}
]
}