Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9cd58527cc51cca8d55b61ada5acf70",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.24,
"b": 70.87,
"c": 72.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.700],
"number_observations_unique": 29655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 96.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.70],
"number_observations_unique": 735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.584
},
{
"type": "Completeness",
"value": 94.80
}
]
},
{
"resolution_limits": [1.73,1.71],
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "Completeness",
"value": 96.30
}
]
},
{
"resolution_limits": [1.74,1.73],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "Completeness",
"value": 96.40
}
]
},
{
"resolution_limits": [1.76,1.74],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "Completeness",
"value": 94.70
}
]
},
{
"resolution_limits": [1.78,1.76],
"number_observations_unique": 698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "Completeness",
"value": 94.10
}
]
},
{
"resolution_limits": [1.79,1.78],
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 95.70
}
]
},
{
"resolution_limits": [1.81,1.79],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "Completeness",
"value": 93.90
}
]
},
{
"resolution_limits": [1.83,1.81],
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "Completeness",
"value": 93.00
}
]
},
{
"resolution_limits": [1.85,1.83],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 93.70
}
]
},
{
"resolution_limits": [1.87,1.85],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 93.90
}
]
},
{
"resolution_limits": [1.89,1.87],
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "Completeness",
"value": 91.40
}
]
},
{
"resolution_limits": [1.91,1.89],
"number_observations_unique": 715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 93.10
}
]
},
{
"resolution_limits": [1.94,1.91],
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 93.10
}
]
},
{
"resolution_limits": [1.96,1.94],
"number_observations_unique": 691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 92.80
}
]
},
{
"resolution_limits": [1.99,1.96],
"number_observations_unique": 717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 93.00
}
]
},
{
"resolution_limits": [2.02,1.99],
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "Completeness",
"value": 94.20
}
]
},
{
"resolution_limits": [2.04,2.02],
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 93.60
}
]
},
{
"resolution_limits": [2.07,2.04],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 95.30
}
]
},
{
"resolution_limits": [2.11,2.07],
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 96.30
}
]
},
{
"resolution_limits": [2.14,2.11],
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 96.00
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 97.20
}
]
},
{
"resolution_limits": [2.22,2.18],
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 96.80
}
]
},
{
"resolution_limits": [2.26,2.22],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.36,2.31],
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 98.70
}
]
},
{
"resolution_limits": [2.41,2.36],
"number_observations_unique": 769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.47,2.41],
"number_observations_unique": 756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.54,2.47],
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.61,2.54],
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.70,2.61],
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.79,2.70],
"number_observations_unique": 777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.91,2.79],
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [3.04,2.91],
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.20,3.04],
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [3.40,3.20],
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.40
}
]
},
{
"resolution_limits": [3.66,3.40],
"number_observations_unique": 769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [4.03,3.66],
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [4.61,4.03],
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [5.81,4.61],
"number_observations_unique": 812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [50.00,5.81],
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "Completeness",
"value": 90.30
}
]
}
]
}