Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30c0630fbb09b4e0ab3379d01cc53fa7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.78,
"b": 67.37,
"c": 81.12,
"alpha": 90.00,
"beta": 113.92,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.153,1.900],
"number_observations_unique": 57937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.900],
"number_observations": 17635,
"number_observations_unique": 7647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [2.120,2.000],
"number_observations": 16762,
"number_observations_unique": 7460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.270,2.120],
"number_observations": 15928,
"number_observations_unique": 7266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.450,2.270],
"number_observations": 15770,
"number_observations_unique": 7072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.690,2.450],
"number_observations": 15988,
"number_observations_unique": 6715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [3.000,2.690],
"number_observations": 15282,
"number_observations_unique": 6111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [3.470,3.000],
"number_observations": 13983,
"number_observations_unique": 5479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [4.250,3.470],
"number_observations": 11746,
"number_observations_unique": 4626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.500
}
]
},
{
"resolution_limits": [6.010,4.250],
"number_observations": 9225,
"number_observations_unique": 3577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.600
}
]
},
{
"resolution_limits": [43.860,6.010],
"number_observations": 5106,
"number_observations_unique": 1984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.600
}
]
}
]
}