Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65291886088856fe33c1cbfef60dda2e",
"space_group_name": "P 1",
"unit_cell": {
"a": 70.941,
"b": 70.895,
"c": 76.618,
"alpha": 88.78,
"beta": 84.70,
"gamma": 60.13
},
"wavelengths": [0.97937],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.391,2.10],
"number_observations_unique": 61839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 82.200
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 10781,
"number_observations_unique": 4744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 10179,
"number_observations_unique": 4433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 9093,
"number_observations_unique": 4010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 76.100
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations": 8654,
"number_observations_unique": 3866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 75.400
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations": 9829,
"number_observations_unique": 4268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations": 9609,
"number_observations_unique": 4162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations": 8770,
"number_observations_unique": 3864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations": 8332,
"number_observations_unique": 3654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations": 6912,
"number_observations_unique": 3057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 71.800
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations": 7989,
"number_observations_unique": 3491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations": 7733,
"number_observations_unique": 3331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations": 7293,
"number_observations_unique": 3180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations": 6522,
"number_observations_unique": 2862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations": 5428,
"number_observations_unique": 2415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations": 6199,
"number_observations_unique": 2668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations": 5361,
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations": 4003,
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 75.800
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations": 3961,
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations": 3041,
"number_observations_unique": 1316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 84.900
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [29.391,9.390],
"number_observations": 1584,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 2.300
}
]
}
]
}