Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58afff4cfc13aba5222ba7c9df675280",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.69,
"b": 78.09,
"c": 84.28,
"alpha": 90.00,
"beta": 105.96,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.031,2.500],
"number_observations": 60015,
"number_observations_unique": 20094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.500],
"number_observations": 8444,
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.800,2.640],
"number_observations": 8188,
"number_observations_unique": 2749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.990,2.800],
"number_observations": 7935,
"number_observations_unique": 2592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.230,2.990],
"number_observations": 7562,
"number_observations_unique": 2430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.540,3.230],
"number_observations": 6981,
"number_observations_unique": 2252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [3.950,3.540],
"number_observations": 6133,
"number_observations_unique": 2040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.560,3.950],
"number_observations": 5236,
"number_observations_unique": 1792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [5.590,4.560],
"number_observations": 4233,
"number_observations_unique": 1529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [7.910,5.590],
"number_observations": 3303,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [56.229,7.910],
"number_observations": 2000,
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}