Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c37d05fdd38beeb6d74c46a94d46cc3e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 47.725,
"b": 140.041,
"c": 87.107,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.021,1.300],
"number_observations": 257575,
"number_observations_unique": 70347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.300],
"number_observations": 35885,
"number_observations_unique": 9877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.624
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.450,1.370],
"number_observations": 34507,
"number_observations_unique": 9603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.550,1.450],
"number_observations": 33949,
"number_observations_unique": 9086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.680,1.550],
"number_observations": 30372,
"number_observations_unique": 8514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [1.840,1.680],
"number_observations": 29975,
"number_observations_unique": 7866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.050,1.840],
"number_observations": 25594,
"number_observations_unique": 7092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.370,2.050],
"number_observations": 23779,
"number_observations_unique": 6295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.910,2.370],
"number_observations": 19299,
"number_observations_unique": 5378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [4.110,2.910],
"number_observations": 15751,
"number_observations_unique": 4221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [45.174,4.110],
"number_observations": 8464,
"number_observations_unique": 2415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
}
]
}
]
}