Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7ebe9f68cf9acf71140ed6471997d71",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 144.278,
"b": 33.466,
"c": 59.899,
"alpha": 90.00,
"beta": 96.18,
"gamma": 90.00
},
"wavelengths": [1.01995,0.97974],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.62,1.41],
"number_observations_unique": 46247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.41],
"number_observations": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 32.3
},
{
"type": "Redundancy",
"value": 1.600
}
]
},
{
"resolution_limits": [1.49,1.45],
"number_observations": 1635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [1.53,1.49],
"number_observations": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [1.58,1.53],
"number_observations": 2476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [1.63,1.58],
"number_observations": 2839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Redundancy",
"value": 2.400
}
]
},
{
"resolution_limits": [1.69,1.63],
"number_observations": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [1.75,1.69],
"number_observations": 3399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [1.82,1.75],
"number_observations": 3242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.90,1.82],
"number_observations": 3151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.99,1.90],
"number_observations": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.10,1.99],
"number_observations": 2844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.23,2.10],
"number_observations": 2721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.38,2.23],
"number_observations": 2560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.57,2.38],
"number_observations": 2388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.82,2.57],
"number_observations": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.15,2.82],
"number_observations": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [3.64,3.15],
"number_observations": 1773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.46,3.64],
"number_observations": 1496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [6.31,4.46],
"number_observations": 1177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [18.62,6.31],
"number_observations": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.03
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
}
]
}