Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da5de2d1e144c19dfe494c8f5d3b9165",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.12,
"b": 91.59,
"c": 154.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,2.800],
"number_observations_unique": 15566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 16.45
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 5.81
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 6798,
"number_observations_unique": 1137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.954
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.950,2.870],
"number_observations": 6556,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 2.970
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [3.040,2.950],
"number_observations": 6256,
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 98.9
}
]
},
{
"resolution_limits": [3.130,3.040],
"number_observations": 5486,
"number_observations_unique": 1014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 5.040
},
{
"type": "Completeness",
"value": 97.6
}
]
},
{
"resolution_limits": [3.230,3.130],
"number_observations": 6023,
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 7.690
},
{
"type": "Completeness",
"value": 98.5
}
]
},
{
"resolution_limits": [3.350,3.230],
"number_observations": 6226,
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.470,3.350],
"number_observations": 5600,
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations": 5660,
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 14.370
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.780,3.610],
"number_observations": 5084,
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 17.260
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [3.960,3.780],
"number_observations": 4884,
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 19.590
},
{
"type": "Completeness",
"value": 98.9
}
]
},
{
"resolution_limits": [4.170,3.960],
"number_observations": 4187,
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 22.460
},
{
"type": "Completeness",
"value": 96.5
}
]
},
{
"resolution_limits": [4.430,4.170],
"number_observations": 4687,
"number_observations_unique": 767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 27.510
},
{
"type": "Completeness",
"value": 99.1
}
]
},
{
"resolution_limits": [4.730,4.430],
"number_observations": 4308,
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 28.680
},
{
"type": "Completeness",
"value": 99.0
}
]
},
{
"resolution_limits": [5.110,4.730],
"number_observations": 3985,
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 28.070
},
{
"type": "Completeness",
"value": 99.7
}
]
},
{
"resolution_limits": [5.600,5.110],
"number_observations": 3529,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 28.840
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [6.260,5.600],
"number_observations": 2900,
"number_observations_unique": 555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 27.930
},
{
"type": "Completeness",
"value": 95.7
}
]
},
{
"resolution_limits": [7.230,6.260],
"number_observations": 3006,
"number_observations_unique": 520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 33.030
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [8.850,7.230],
"number_observations": 2406,
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 36.860
},
{
"type": "Completeness",
"value": 98.9
}
]
},
{
"resolution_limits": [12.520,8.850],
"number_observations": 1710,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 37.300
},
{
"type": "Completeness",
"value": 98.9
}
]
},
{
"resolution_limits": [100,12.520],
"number_observations": 1095,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 40.570
},
{
"type": "Completeness",
"value": 99.5
}
]
}
]
}