Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbb17c7b6ad3d181c4ecf4a409273e2d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.67,
"b": 81.02,
"c": 50.78,
"alpha": 90.0,
"beta": 104.9,
"gamma": 90.0
},
"wavelengths": [0.97947],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.073,2.200],
"number_observations": 122021,
"number_observations_unique": 33544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 16605,
"number_observations_unique": 4750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations": 16503,
"number_observations_unique": 4606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.630,2.460],
"number_observations": 15812,
"number_observations_unique": 4314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations": 15035,
"number_observations_unique": 4073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.110,2.840],
"number_observations": 13830,
"number_observations_unique": 3737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.480,3.110],
"number_observations": 12551,
"number_observations_unique": 3400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.020,3.480],
"number_observations": 11090,
"number_observations_unique": 3006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.920,4.020],
"number_observations": 9353,
"number_observations_unique": 2541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [6.960,4.920],
"number_observations": 7281,
"number_observations_unique": 1994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [49.073,6.960],
"number_observations": 3961,
"number_observations_unique": 1123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}