Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a2a1ade40fb2c1ed6fabb0437e24274",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.28,
"b": 72.58,
"c": 182.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.400],
"number_observations_unique": 144410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 60432,
"number_observations_unique": 10565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.480,1.440],
"number_observations": 58911,
"number_observations_unique": 10303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 4.470
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [1.520,1.480],
"number_observations": 57639,
"number_observations_unique": 10058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 5.880
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.570,1.520],
"number_observations": 55847,
"number_observations_unique": 9751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 7.020
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations": 54541,
"number_observations_unique": 9496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 8.740
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 52489,
"number_observations_unique": 9141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.540
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 50681,
"number_observations_unique": 8836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 12.390
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.810,1.740],
"number_observations": 48839,
"number_observations_unique": 8513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 15.330
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations": 46814,
"number_observations_unique": 8186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 18.790
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [1.980,1.890],
"number_observations": 44702,
"number_observations_unique": 7845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 23.290
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.090,1.980],
"number_observations": 41964,
"number_observations_unique": 7430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 28.930
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.210,2.090],
"number_observations": 39857,
"number_observations_unique": 7104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 34.260
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.370,2.210],
"number_observations": 36835,
"number_observations_unique": 6614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 38.950
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.560,2.370],
"number_observations": 34411,
"number_observations_unique": 6202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 41.450
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.800,2.560],
"number_observations": 31571,
"number_observations_unique": 5746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 46.760
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.130,2.800],
"number_observations": 28285,
"number_observations_unique": 5205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 52.380
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [3.610,3.130],
"number_observations": 25281,
"number_observations_unique": 4621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 59.410
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [4.430,3.610],
"number_observations": 21440,
"number_observations_unique": 3939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 64.430
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [6.260,4.430],
"number_observations": 16747,
"number_observations_unique": 3098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 64.550
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [50.0,6.260],
"number_observations": 8725,
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 63.700
},
{
"type": "Completeness",
"value": 96.500
}
]
}
]
}