Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e52142c79d26af86fc4eb5c2e586b393",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.49,
"b": 100.84,
"c": 143.42,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.900],
"number_observations_unique": 63570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 27.110
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 17.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 27540,
"number_observations_unique": 4373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 5.690
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 6.3
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations": 42449,
"number_observations_unique": 4345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 9.150
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 9.8
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 53460,
"number_observations_unique": 4352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 12.530
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 12.3
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 58080,
"number_observations_unique": 4267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 15.340
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.6
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations": 63459,
"number_observations_unique": 4195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 18.190
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 15.1
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations": 66348,
"number_observations_unique": 4053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 20.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.4
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations": 69433,
"number_observations_unique": 3940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 22.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.6
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations": 76027,
"number_observations_unique": 3783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 25.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.1
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations": 78599,
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 27.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.6
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations": 75202,
"number_observations_unique": 3469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 28.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.7
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations": 72065,
"number_observations_unique": 3322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 30.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.7
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations": 68403,
"number_observations_unique": 3141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 32.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.8
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations": 64696,
"number_observations_unique": 2975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 35.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.8
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations": 60352,
"number_observations_unique": 2780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 41.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.7
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 54274,
"number_observations_unique": 2534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 49.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.4
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 50072,
"number_observations_unique": 2350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 55.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.3
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 43814,
"number_observations_unique": 2057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 55.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.3
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations": 37920,
"number_observations_unique": 1777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 46.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.3
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations": 29241,
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 46.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.9
}
]
},
{
"resolution_limits": [50,8.500],
"number_observations": 15473,
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 56.990
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 18.8
}
]
}
]
}