Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dad5672169121bf63272d184896b3ea",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 58.574,
"b": 58.574,
"c": 101.717,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.76,1.100],
"number_observations_unique": 71959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 26.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations_unique": 3510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 15.800
}
]
},
{
"resolution_limits": [1.140,1.120],
"number_observations_unique": 3538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 20.600
}
]
},
{
"resolution_limits": [1.160,1.140],
"number_observations_unique": 3539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.800
}
]
},
{
"resolution_limits": [1.180,1.160],
"number_observations_unique": 3572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.700
}
]
},
{
"resolution_limits": [1.210,1.180],
"number_observations_unique": 3555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.800
}
]
},
{
"resolution_limits": [1.240,1.210],
"number_observations_unique": 3562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.900
}
]
},
{
"resolution_limits": [1.270,1.240],
"number_observations_unique": 3575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.000
}
]
},
{
"resolution_limits": [1.300,1.270],
"number_observations_unique": 3569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.100
}
]
},
{
"resolution_limits": [1.340,1.300],
"number_observations_unique": 3561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.300
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations_unique": 3569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.300
}
]
},
{
"resolution_limits": [1.440,1.390],
"number_observations_unique": 3606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.400
}
]
},
{
"resolution_limits": [1.490,1.440],
"number_observations_unique": 3596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.600
}
]
},
{
"resolution_limits": [1.560,1.490],
"number_observations_unique": 3605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.700
}
]
},
{
"resolution_limits": [1.640,1.560],
"number_observations_unique": 3581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.700
}
]
},
{
"resolution_limits": [1.750,1.640],
"number_observations_unique": 3641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.800
}
]
},
{
"resolution_limits": [1.880,1.750],
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.700
}
]
},
{
"resolution_limits": [2.070,1.880],
"number_observations_unique": 3642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 24.200
}
]
},
{
"resolution_limits": [2.370,2.070],
"number_observations_unique": 3674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 25.000
}
]
},
{
"resolution_limits": [2.990,2.370],
"number_observations_unique": 3728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 28.200
}
]
},
{
"resolution_limits": [38.36,2.990],
"number_observations_unique": 3709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 18.200
}
]
}
]
}