Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5590dc540395334d73e86f5c0af371ec",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.01,
"b": 166.68,
"c": 99.72,
"alpha": 90.00,
"beta": 90.57,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.600],
"number_observations_unique": 76380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 10.330
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 20566,
"number_observations_unique": 5648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 3.680
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 20265,
"number_observations_unique": 5516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 4.020
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 19704,
"number_observations_unique": 5342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 4.870
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations": 19346,
"number_observations_unique": 5227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 5.150
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.000,2.910],
"number_observations": 18674,
"number_observations_unique": 5045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 5.990
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.110,3.000],
"number_observations": 17920,
"number_observations_unique": 4900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 6.980
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.220,3.110],
"number_observations": 17308,
"number_observations_unique": 4737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 8.080
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [3.360,3.220],
"number_observations": 16484,
"number_observations_unique": 4510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 9.350
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [3.510,3.360],
"number_observations": 15286,
"number_observations_unique": 4324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 10.810
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.680,3.510],
"number_observations": 14568,
"number_observations_unique": 4166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [3.880,3.680],
"number_observations": 13521,
"number_observations_unique": 3937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 14.140
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [4.110,3.880],
"number_observations": 12362,
"number_observations_unique": 3700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [4.390,4.110],
"number_observations": 11316,
"number_observations_unique": 3488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 18.010
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [4.750,4.390],
"number_observations": 10648,
"number_observations_unique": 3270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 18.630
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [5.200,4.750],
"number_observations": 10144,
"number_observations_unique": 2993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 16.710
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [5.810,5.200],
"number_observations": 9657,
"number_observations_unique": 2726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 13.940
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [6.710,5.810],
"number_observations": 8569,
"number_observations_unique": 2423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 14.460
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [8.220,6.710],
"number_observations": 6955,
"number_observations_unique": 2019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 16.580
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [11.630,8.220],
"number_observations": 5123,
"number_observations_unique": 1574,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 22.820
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [50.0,11.630],
"number_observations": 2665,
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 25.610
},
{
"type": "Completeness",
"value": 93.000
}
]
}
]
}