Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df19659866ba665d29d1eee1b149fb0f",
"space_group_name": "P 32",
"unit_cell": {
"a": 30.675,
"b": 30.675,
"c": 42.355,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [16.560,2.500],
"number_observations": 7706,
"number_observations_unique": 2962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.130
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.602
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.500],
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 4.370
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.619
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.830,2.650],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 5.760
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.618
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.680
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.589
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.320,3.050],
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.920
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.638
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.700,3.320],
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 11.590
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.587
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.240,3.700],
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 13.160
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.100,4.240],
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 13.580
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.574
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.900,5.100],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 13.810
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.566
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [16.560,6.900],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 12.680
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 2.584
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}