Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abdf74292221523d5a9755aabaa9bfd9",
"space_group_name": "P 1",
"unit_cell": {
"a": 38.007,
"b": 57.895,
"c": 112.938,
"alpha": 90.00,
"beta": 90.01,
"gamma": 104.34
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.980],
"number_observations_unique": 60608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations_unique": 2189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 67.500
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 2769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 3023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 3039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 2979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.230,2.180],
"number_observations_unique": 3108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 2967,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations_unique": 3075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 3079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations_unique": 3090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 3083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 3158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.140,2.960],
"number_observations_unique": 3107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.390,3.140],
"number_observations_unique": 3165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 3130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.260,3.730],
"number_observations_unique": 3203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [5.370,4.260],
"number_observations_unique": 3179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [50.000,5.370],
"number_observations_unique": 3084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.000
}
]
}
]
}