Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c31defd1dee8c6f97856619273ed71f",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 88.047,
"b": 137.027,
"c": 45.184,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.074,2.700],
"number_observations": 58928,
"number_observations_unique": 15630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.700],
"number_observations": 8687,
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.020,2.850],
"number_observations": 8159,
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.230,3.020],
"number_observations": 7610,
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.490,3.230],
"number_observations": 7119,
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.820,3.490],
"number_observations": 6483,
"number_observations_unique": 1732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.270,3.820],
"number_observations": 5713,
"number_observations_unique": 1559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.930,4.270],
"number_observations": 5245,
"number_observations_unique": 1408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [6.040,4.930],
"number_observations": 4498,
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [8.540,6.040],
"number_observations": 3500,
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [45.676,8.540],
"number_observations": 1914,
"number_observations_unique": 572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}